CID 71757930

N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C2C(=C(C=C1)NC(=O)C)CCCN2
InChI
InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
InChIKey
RYRDUZSMONMBBE-UHFFFAOYSA-N
Compound name
N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.8
[M+Na]+ 227.115488 152.0
[M-H]- 203.118994 147.3
[M+NH4]+ 222.160093 163.8
[M+K]+ 243.089428 148.3
[M+H-H2O]+ 187.123530 139.1
[M+HCOO]- 249.124471 164.1
[M+CH3COO]- 263.140121 187.1
[M+Na-2H]- 225.100936 151.1
[M]+ 204.12572142 141.5
[M]- 204.12681858 141.5
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

No patent data available for this compound.