CID 39235843

(1s,2s)-2-pyridin-4-ylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1[C@@H]([C@@H]1C(=O)O)C2=CC=NC=C2
InChI
InChI=1S/C9H9NO2/c11-9(12)8-5-7(8)6-1-3-10-4-2-6/h1-4,7-8H,5H2,(H,11,12)/t7-,8-/m1/s1
InChIKey
YFOFMIZNXREQAS-HTQZYQBOSA-N
Compound name
(1R,2S)-2-pyridin-4-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 134.0
[M+Na]+ 186.05254 143.8
[M-H]- 162.05604 139.3
[M+NH4]+ 181.09714 147.9
[M+K]+ 202.02648 140.5
[M+H-H2O]+ 146.06058 127.1
[M+HCOO]- 208.06152 156.0
[M+CH3COO]- 222.07717 178.5
[M+Na-2H]- 184.03799 140.2
[M]+ 163.06277 135.6
[M]- 163.06387 135.6
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.