CID 347850

1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(=O)N1CCCC2=CC=CC=C21
InChI
InChI=1S/C11H13NO/c1-9(13)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7H,4,6,8H2,1H3
InChIKey
RRWLNRQGJSQRAF-UHFFFAOYSA-N
Compound name
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

559
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.0
[M+Na]+ 198.08894 143.9
[M-H]- 174.09244 139.7
[M+NH4]+ 193.13354 156.9
[M+K]+ 214.06288 141.4
[M+H-H2O]+ 158.09698 130.3
[M+HCOO]- 220.09792 156.0
[M+CH3COO]- 234.11357 180.6
[M+Na-2H]- 196.07439 143.5
[M]+ 175.09917 134.4
[M]- 175.10027 134.4
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