CID 39235822

731811-62-4

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=N2
InChI
InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m1/s1
InChIKey
ZFZMEVZZAIRAHE-RNFRBKRXSA-N
Compound name
(1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
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

literature stripe

Patent stripe

patents stripe