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
trans-(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]+ 214.086256 146.8
[M+Na]+ 236.068198 157.2
[M-H]- 212.071704 152.8
[M+NH4]+ 231.112803 159.8
[M+K]+ 252.042138 152.3
[M+H-H2O]+ 196.076240 139.6
[M+HCOO]- 258.077181 167.3
[M+CH3COO]- 272.092831 159.2
[M+Na-2H]- 234.053646 153.2
[M]+ 213.07843142 148.9
[M]- 213.07952858 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.