CID 91618696

1-(1h-pyrazol-1-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC1(C(=O)O)N2C=CC=N2
InChI
InChI=1S/C7H8N2O2/c10-6(11)7(2-3-7)9-5-1-4-8-9/h1,4-5H,2-3H2,(H,10,11)
InChIKey
CCYSKSRSPSFWNP-UHFFFAOYSA-N
Compound name
1-pyrazol-1-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 134.5
[M+Na]+ 175.04780 144.9
[M-H]- 151.05130 138.5
[M+NH4]+ 170.09240 150.8
[M+K]+ 191.02174 142.6
[M+H-H2O]+ 135.05584 128.2
[M+HCOO]- 197.05678 156.0
[M+CH3COO]- 211.07243 174.0
[M+Na-2H]- 173.03325 140.6
[M]+ 152.05803 136.5
[M]- 152.05913 136.5
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.