CID 205896

18940-21-1

Structural Information

Molecular Formula
C14H17NO
SMILES
CC1(CC(=CC(=O)C1)NC2=CC=CC=C2)C
InChI
InChI=1S/C14H17NO/c1-14(2)9-12(8-13(16)10-14)15-11-6-4-3-5-7-11/h3-8,15H,9-10H2,1-2H3
InChIKey
LIHRRTOWVCDHLR-UHFFFAOYSA-N
Compound name
3-anilino-5,5-dimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

215.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13829 149.6
[M+Na]+ 238.12023 163.0
[M+NH4]+ 233.16483 160.3
[M+K]+ 254.09417 153.1
[M-H]- 214.12373 155.0
[M+Na-2H]- 236.10568 159.8
[M]+ 215.13046 153.2
[M]- 215.13156 153.2
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