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
trans-(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]+ 153.065856 132.9
[M+Na]+ 175.047798 143.1
[M-H]- 151.051304 135.6
[M+NH4]+ 170.092403 146.9
[M+K]+ 191.021738 138.8
[M+H-H2O]+ 135.055840 126.1
[M+HCOO]- 197.056781 153.3
[M+CH3COO]- 211.072431 173.1
[M+Na-2H]- 173.033246 137.0
[M]+ 152.05803142 133.1
[M]- 152.05912858 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.