CID 643487

132588-91-1

Structural Information

Molecular Formula
C11H13NO
SMILES
CC1(CC(=O)C2=CC=CC=C2N1)C
InChI
InChI=1S/C11H13NO/c1-11(2)7-10(13)8-5-3-4-6-9(8)12-11/h3-6,12H,7H2,1-2H3
InChIKey
RWVLKDAXCNBLPV-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dihydroquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

175.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.1
[M+Na]+ 198.08894 145.8
[M-H]- 174.09244 139.1
[M+NH4]+ 193.13354 158.7
[M+K]+ 214.06288 142.2
[M+H-H2O]+ 158.09698 131.3
[M+HCOO]- 220.09792 155.6
[M+CH3COO]- 234.11357 178.4
[M+Na-2H]- 196.07439 144.7
[M]+ 175.09917 134.1
[M]- 175.10027 134.1
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