CID 47002131

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

Structural Information

Molecular Formula
C11H13NO2
SMILES
CN1CCC(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H13NO2/c1-12-7-6-9(11(13)14)8-4-2-3-5-10(8)12/h2-5,9H,6-7H2,1H3,(H,13,14)
InChIKey
QMDIFBVFIALGKG-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.3
[M+Na]+ 214.083858 147.6
[M-H]- 190.087364 141.9
[M+NH4]+ 209.128463 159.0
[M+K]+ 230.057798 144.7
[M+H-H2O]+ 174.091900 133.9
[M+HCOO]- 236.092841 158.0
[M+CH3COO]- 250.108491 181.9
[M+Na-2H]- 212.069306 145.7
[M]+ 191.09409142 137.8
[M]- 191.09518858 137.8
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

patents stripe