CID 3049991

Aminomethyl-4,4-diphenylcyclohex-2-ene maleate

Structural Information

Molecular Formula
C19H21N
SMILES
C1CC(C=CC1CN)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21N/c20-15-16-11-13-19(14-12-16,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-11,13,16H,12,14-15,20H2
InChIKey
DIZAQGHXOKYBQB-UHFFFAOYSA-N
Compound name
(4,4-diphenylcyclohex-2-en-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 163.9
[M+Na]+ 286.15662 168.8
[M-H]- 262.16012 172.3
[M+NH4]+ 281.20122 181.1
[M+K]+ 302.13056 163.2
[M+H-H2O]+ 246.16466 155.1
[M+HCOO]- 308.16560 185.5
[M+CH3COO]- 322.18125 174.8
[M+Na-2H]- 284.14207 169.2
[M]+ 263.16685 158.1
[M]- 263.16795 158.1
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.