CID 56766062

4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC1CCNC2=C1C=CC=C2C(=O)O
InChI
InChI=1S/C11H13NO2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14/h2-4,7,12H,5-6H2,1H3,(H,13,14)
InChIKey
YPHSTQBSRIRNQJ-UHFFFAOYSA-N
Compound name
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.9
[M+Na]+ 214.08386 147.8
[M-H]- 190.08736 141.1
[M+NH4]+ 209.12846 158.9
[M+K]+ 230.05780 144.1
[M+H-H2O]+ 174.09190 134.9
[M+HCOO]- 236.09284 157.1
[M+CH3COO]- 250.10849 179.4
[M+Na-2H]- 212.06931 145.8
[M]+ 191.09409 136.6
[M]- 191.09519 136.6
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.