CID 155970606

Rac-(1r,2r)-2-(1h-pyrazol-4-yl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CNN=C2
InChI
InChI=1S/C7H8N2O2/c10-7(11)6-1-5(6)4-2-8-9-3-4/h2-3,5-6H,1H2,(H,8,9)(H,10,11)/t5-,6+/m0/s1
InChIKey
RPYKPGOQIFEWNB-NTSWFWBYSA-N
Compound name
(1R,2R)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 132.9
[M+Na]+ 175.04780 143.1
[M-H]- 151.05130 135.6
[M+NH4]+ 170.09240 146.9
[M+K]+ 191.02174 138.8
[M+H-H2O]+ 135.05584 126.1
[M+HCOO]- 197.05678 153.3
[M+CH3COO]- 211.07243 173.1
[M+Na-2H]- 173.03325 137.0
[M]+ 152.05803 133.1
[M]- 152.05913 133.1
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.