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
(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]+ 195.11281 145.4
[M+Na]+ 217.09475 155.3
[M-H]- 193.09825 149.4
[M+NH4]+ 212.13935 158.7
[M+K]+ 233.06869 151.5
[M+H-H2O]+ 177.10279 138.3
[M+HCOO]- 239.10373 165.3
[M+CH3COO]- 253.11938 186.1
[M+Na-2H]- 215.08020 146.6
[M]+ 194.10498 148.3
[M]- 194.10608 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.