CID 137964668

2227897-53-0

Structural Information

Molecular Formula
C13H11NO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C13H11NO2/c15-13(16)11-7-10(11)8-5-6-14-12-4-2-1-3-9(8)12/h1-6,10-11H,7H2,(H,15,16)/t10-,11+/m0/s1
InChIKey
AJMOJSADAZCTDI-WDEREUQCSA-N
Compound name
(1R,2R)-2-quinolin-4-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 148.4
[M+Na]+ 236.06820 164.0
[M+NH4]+ 231.11280 157.7
[M+K]+ 252.04214 158.5
[M-H]- 212.07170 158.6
[M+Na-2H]- 234.05365 158.3
[M]+ 213.07843 154.7
[M]- 213.07953 154.7
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.