CID 155822485

2503201-90-7

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=CC(=C(C2=C1NCCC2)C)C(=O)OC
InChI
InChI=1S/C13H17NO2/c1-8-7-11(13(15)16-3)9(2)10-5-4-6-14-12(8)10/h7,14H,4-6H2,1-3H3
InChIKey
DPISPNNXLBAUDO-UHFFFAOYSA-N
Compound name
methyl 5,8-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.5
[M+Na]+ 242.11515 157.0
[M-H]- 218.11865 151.2
[M+NH4]+ 237.15975 167.5
[M+K]+ 258.08909 153.7
[M+H-H2O]+ 202.12319 143.1
[M+HCOO]- 264.12413 166.5
[M+CH3COO]- 278.13978 188.5
[M+Na-2H]- 240.10060 153.1
[M]+ 219.12538 148.1
[M]- 219.12648 148.1
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.