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]+ 204.13829 144.2
[M+Na]+ 226.12023 154.0
[M-H]- 202.12373 146.7
[M+NH4]+ 221.16483 167.1
[M+K]+ 242.09417 150.2
[M+H-H2O]+ 186.12827 139.0
[M+HCOO]- 248.12921 162.1
[M+CH3COO]- 262.14486 185.4
[M+Na-2H]- 224.10568 151.3
[M]+ 203.13046 142.8
[M]- 203.13156 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.