CID 56604614

1-(cyclopropylmethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1CC1CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c11-8(12)7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2,(H,11,12)
InChIKey
CBBXSDWRLKFMCW-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

166.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 138.1
[M+Na]+ 189.06345 150.0
[M+NH4]+ 184.10805 145.6
[M+K]+ 205.03739 148.4
[M-H]- 165.06695 145.2
[M+Na-2H]- 187.04890 145.6
[M]+ 166.07368 142.6
[M]- 166.07478 142.6
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