CID 4175192

60247-73-6

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1=CC2=C(CC(CC2=O)(C)C)N=C1
InChI
InChI=1S/C12H15NO/c1-8-4-9-10(13-7-8)5-12(2,3)6-11(9)14/h4,7H,5-6H2,1-3H3
InChIKey
NFEXTMYHUODAGU-UHFFFAOYSA-N
Compound name
3,7,7-trimethyl-6,8-dihydroquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.11537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 139.9
[M+Na]+ 212.104588 149.6
[M-H]- 188.108094 143.6
[M+NH4]+ 207.149193 162.0
[M+K]+ 228.078528 146.7
[M+H-H2O]+ 172.112630 134.0
[M+HCOO]- 234.113571 159.7
[M+CH3COO]- 248.129221 185.2
[M+Na-2H]- 210.090036 146.9
[M]+ 189.11482142 139.6
[M]- 189.11591858 139.6
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