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]+ 205.13355 145.8
[M+Na]+ 227.11549 152.0
[M-H]- 203.11899 147.3
[M+NH4]+ 222.16009 163.8
[M+K]+ 243.08943 148.3
[M+H-H2O]+ 187.12353 139.1
[M+HCOO]- 249.12447 164.1
[M+CH3COO]- 263.14012 187.1
[M+Na-2H]- 225.10094 151.1
[M]+ 204.12572 141.5
[M]- 204.12682 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.