CID 90352796

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

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(CCC2=C(C1=O)C=CC=N2)C
InChI
InChI=1S/C11H13NO/c1-11(2)6-5-9-8(10(11)13)4-3-7-12-9/h3-4,7H,5-6H2,1-2H3
InChIKey
QGJSKZRBNAABTG-UHFFFAOYSA-N
Compound name
6,6-dimethyl-7,8-dihydroquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

175.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 136.1
[M+Na]+ 198.08894 145.3
[M-H]- 174.09244 139.6
[M+NH4]+ 193.13354 158.5
[M+K]+ 214.06288 142.6
[M+H-H2O]+ 158.09698 130.0
[M+HCOO]- 220.09792 156.2
[M+CH3COO]- 234.11357 181.0
[M+Na-2H]- 196.07439 144.3
[M]+ 175.09917 135.0
[M]- 175.10027 135.0
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