CID 42604452

1146576-61-5

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)C1CCCC2=C1N=CC=C2
InChI
InChI=1S/C11H13NO/c1-8(13)10-6-2-4-9-5-3-7-12-11(9)10/h3,5,7,10H,2,4,6H2,1H3
InChIKey
YCPXJTSSSPGZOE-UHFFFAOYSA-N
Compound name
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

175.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.7
[M+Na]+ 198.088938 143.6
[M-H]- 174.092444 139.4
[M+NH4]+ 193.133543 156.5
[M+K]+ 214.062878 141.1
[M+H-H2O]+ 158.096980 130.0
[M+HCOO]- 220.097921 155.8
[M+CH3COO]- 234.113571 181.2
[M+Na-2H]- 196.074386 143.3
[M]+ 175.09917142 134.2
[M]- 175.10026858 134.2
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

patents stripe