CID 165935014

3,3,4,4-tetramethyl-1,2,3,4-tetrahydroquinolin-2-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1(C2=CC=CC=C2NC(=O)C1(C)C)C
InChI
InChI=1S/C13H17NO/c1-12(2)9-7-5-6-8-10(9)14-11(15)13(12,3)4/h5-8H,1-4H3,(H,14,15)
InChIKey
PQOGVRPAOLXXJM-UHFFFAOYSA-N
Compound name
3,3,4,4-tetramethyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 144.2
[M+Na]+ 226.120228 154.0
[M-H]- 202.123734 146.7
[M+NH4]+ 221.164833 167.1
[M+K]+ 242.094168 150.2
[M+H-H2O]+ 186.128270 139.0
[M+HCOO]- 248.129211 162.1
[M+CH3COO]- 262.144861 185.4
[M+Na-2H]- 224.105676 151.3
[M]+ 203.13046142 142.8
[M]- 203.13155858 142.8
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

No patent data available for this compound.