CID 5149881

2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CCC2=NC(=C(C=C2C1)C(=O)O)N
InChI
InChI=1S/C10H12N2O2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h5H,1-4H2,(H2,11,12)(H,13,14)
InChIKey
LDDVELARZBGXHQ-UHFFFAOYSA-N
Compound name
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 140.0
[M+Na]+ 215.079088 146.9
[M-H]- 191.082594 141.2
[M+NH4]+ 210.123693 158.0
[M+K]+ 231.053028 143.9
[M+H-H2O]+ 175.087130 133.5
[M+HCOO]- 237.088071 158.4
[M+CH3COO]- 251.103721 183.3
[M+Na-2H]- 213.064536 145.3
[M]+ 192.08932142 135.5
[M]- 192.09041858 135.5
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