CID 54249732

Tert-butyl 4-(2-hydroxyethyl)-1h-pyrazole-1-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1C=C(C=N1)CCO
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)12-7-8(4-5-13)6-11-12/h6-7,13H,4-5H2,1-3H3
InChIKey
QVXACZCIJWUOQQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-hydroxyethyl)pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

212.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.9
[M+Na]+ 235.10531 156.8
[M-H]- 211.10881 148.9
[M+NH4]+ 230.14991 166.5
[M+K]+ 251.07925 155.8
[M+H-H2O]+ 195.11335 142.5
[M+HCOO]- 257.11429 168.1
[M+CH3COO]- 271.12994 182.6
[M+Na-2H]- 233.09076 152.7
[M]+ 212.11554 151.7
[M]- 212.11664 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe