CID 97616592

En300-1795856

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC(C)N1C=C(C=N1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-6(2)12-5-7(4-11-12)8-3-9(8)10(13)14/h4-6,8-9H,3H2,1-2H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
IOMHVMOWSXGSLP-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(1-propan-2-ylpyrazol-4-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 145.2
[M+Na]+ 217.09475 156.8
[M+NH4]+ 212.13935 152.4
[M+K]+ 233.06869 155.8
[M-H]- 193.09825 152.2
[M+Na-2H]- 215.08020 151.7
[M]+ 194.10498 149.6
[M]- 194.10608 149.6
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.