CID 137964668

Rac-(1r,2r)-2-(quinolin-4-yl)cyclopropane-1-carboxylic acid

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 146.8
[M+Na]+ 236.06820 157.2
[M-H]- 212.07170 152.8
[M+NH4]+ 231.11280 159.8
[M+K]+ 252.04214 152.3
[M+H-H2O]+ 196.07624 139.6
[M+HCOO]- 258.07718 167.3
[M+CH3COO]- 272.09283 159.2
[M+Na-2H]- 234.05365 153.2
[M]+ 213.07843 148.9
[M]- 213.07953 148.9
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.