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]+ 153.065856 133.7
[M+Na]+ 175.047798 143.8
[M-H]- 151.051304 136.5
[M+NH4]+ 170.092403 149.4
[M+K]+ 191.021738 140.5
[M+H-H2O]+ 135.055840 127.8
[M+HCOO]- 197.056781 153.9
[M+CH3COO]- 211.072431 171.5
[M+Na-2H]- 173.033246 139.6
[M]+ 152.05803142 134.0
[M]- 152.05912858 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