CID 51136229

(1s,4r)-4-(1-tert-butyl-3,5-dimethyl-1h-pyrazol-4-yl)cyclopent-2-enol

Structural Information

Molecular Formula
C14H22N2O
SMILES
CC1=C(C(=NN1C(C)(C)C)C)[C@@H]2C[C@@H](C=C2)O
InChI
InChI=1S/C14H22N2O/c1-9-13(11-6-7-12(17)8-11)10(2)16(15-9)14(3,4)5/h6-7,11-12,17H,8H2,1-5H3/t11-,12+/m0/s1
InChIKey
LVYCRGFOHNXGCP-NWDGAFQWSA-N
Compound name
(1S,4R)-4-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)cyclopent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

234.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 156.6
[M+Na]+ 257.16244 167.2
[M+NH4]+ 252.20704 163.8
[M+K]+ 273.13638 165.9
[M-H]- 233.16594 157.6
[M+Na-2H]- 255.14789 160.8
[M]+ 234.17267 158.3
[M]- 234.17377 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.