CID 12690754

5,6,7,8-tetrahydroquinolin-6-one

Structural Information

Molecular Formula
C9H9NO
SMILES
C1CC2=C(CC1=O)C=CC=N2
InChI
InChI=1S/C9H9NO/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-2,5H,3-4,6H2
InChIKey
YBUZBPXSUWAVOD-UHFFFAOYSA-N
Compound name
7,8-dihydro-5H-quinolin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

147.06842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 127.2
[M+Na]+ 170.05764 135.2
[M-H]- 146.06114 130.2
[M+NH4]+ 165.10224 148.2
[M+K]+ 186.03158 132.8
[M+H-H2O]+ 130.06568 120.7
[M+HCOO]- 192.06662 147.9
[M+CH3COO]- 206.08227 174.3
[M+Na-2H]- 168.04309 136.1
[M]+ 147.06787 124.6
[M]- 147.06897 124.6
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

patents stripe