CID 3044103

Benzenebutanamine, alpha,alpha-dimethyl-delta-phenyl-, hydrochloride

Structural Information

Molecular Formula
C18H23N
SMILES
CC(C)(CCC(C1=CC=CC=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C18H23N/c1-18(2,19)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14,19H2,1-2H3
InChIKey
HMNXOVKOJPUDFY-UHFFFAOYSA-N
Compound name
2-methyl-5,5-diphenylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.190316 162.6
[M+Na]+ 276.172258 166.8
[M-H]- 252.175764 168.0
[M+NH4]+ 271.216863 178.7
[M+K]+ 292.146198 162.4
[M+H-H2O]+ 236.180300 155.0
[M+HCOO]- 298.181241 183.5
[M+CH3COO]- 312.196891 199.5
[M+Na-2H]- 274.157706 167.3
[M]+ 253.18249142 160.3
[M]- 253.18358858 160.3
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.