CID 155977856

1-tert-butyl-3-cyclopropyl-1h-pyrazole-5-carbaldehyde

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC(C)(C)N1C(=CC(=N1)C2CC2)C=O
InChI
InChI=1S/C11H16N2O/c1-11(2,3)13-9(7-14)6-10(12-13)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKey
PRVHSTGATYYVPB-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-cyclopropylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 148.7
[M+Na]+ 215.11549 159.6
[M-H]- 191.11899 154.0
[M+NH4]+ 210.16009 163.1
[M+K]+ 231.08943 155.8
[M+H-H2O]+ 175.12353 141.7
[M+HCOO]- 237.12447 169.8
[M+CH3COO]- 251.14012 187.5
[M+Na-2H]- 213.10094 152.6
[M]+ 192.12572 152.8
[M]- 192.12682 152.8
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

No patent data available for this compound.