CID 98707

91641-02-0

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC2=CC=CC=C2N(C1)CCC(=O)O
InChI
InChI=1S/C12H15NO2/c14-12(15)7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9H2,(H,14,15)
InChIKey
BHSFGROFSZRPCD-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

43
Patents

205.11028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.6
[M+Na]+ 228.09950 157.6
[M+NH4]+ 223.14410 153.9
[M+K]+ 244.07344 151.1
[M-H]- 204.10300 147.0
[M+Na-2H]- 226.08495 150.7
[M]+ 205.10973 147.6
[M]- 205.11083 147.6
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