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

1
Patents

152.05858 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 134.5
[M+Na]+ 175.047798 144.9
[M-H]- 151.051304 138.5
[M+NH4]+ 170.092403 150.8
[M+K]+ 191.021738 142.6
[M+H-H2O]+ 135.055840 128.2
[M+HCOO]- 197.056781 156.0
[M+CH3COO]- 211.072431 174.0
[M+Na-2H]- 173.033246 140.6
[M]+ 152.05803142 136.5
[M]- 152.05912858 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

patents stripe