CID 288323

889-31-6

Structural Information

Molecular Formula
C15H19NO
SMILES
CC1(CC(=CC(=O)C1)NCC2=CC=CC=C2)C
InChI
InChI=1S/C15H19NO/c1-15(2)9-13(8-14(17)10-15)16-11-12-6-4-3-5-7-12/h3-8,16H,9-11H2,1-2H3
InChIKey
CCAHMSNAFCNUPX-UHFFFAOYSA-N
Compound name
3-(benzylamino)-5,5-dimethylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

229.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 154.1
[M+Na]+ 252.13589 167.3
[M+NH4]+ 247.18049 164.7
[M+K]+ 268.10983 157.2
[M-H]- 228.13939 159.5
[M+Na-2H]- 250.12134 164.1
[M]+ 229.14612 157.7
[M]- 229.14722 157.7
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