CID 82417160

1-(1h-pyrazol-4-yl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC1(C2=CNN=C2)C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-6(11)7(1-2-7)5-3-8-9-4-5/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChIKey
WEGFFVBZKKJAEK-UHFFFAOYSA-N
Compound name
1-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

152.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 133.7
[M+Na]+ 175.04780 143.8
[M-H]- 151.05130 136.5
[M+NH4]+ 170.09240 149.4
[M+K]+ 191.02174 140.5
[M+H-H2O]+ 135.05584 127.8
[M+HCOO]- 197.05678 153.9
[M+CH3COO]- 211.07243 171.5
[M+Na-2H]- 173.03325 139.6
[M]+ 152.05803 134.0
[M]- 152.05913 134.0
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