CID 124745805

Rac-(1r,2r)-2-[1-(propan-2-yl)-1h-pyrazol-5-yl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC(C)N1C(=CC=N1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-6(2)12-9(3-4-11-12)7-5-8(7)10(13)14/h3-4,6-8H,5H2,1-2H3,(H,13,14)/t7-,8-/m1/s1
InChIKey
IMNOPXLYIQUOMX-HTQZYQBOSA-N
Compound name
trans-(1R,2R)-2-(2-propan-2-ylpyrazol-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 145.4
[M+Na]+ 217.094748 155.3
[M-H]- 193.098254 149.4
[M+NH4]+ 212.139353 158.7
[M+K]+ 233.068688 151.5
[M+H-H2O]+ 177.102790 138.3
[M+HCOO]- 239.103731 165.3
[M+CH3COO]- 253.119381 186.1
[M+Na-2H]- 215.080196 146.6
[M]+ 194.10498142 148.3
[M]- 194.10607858 148.3
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.