CID 200514

Cyclohexylamine, n-allyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula
C15H21N
SMILES
C=CCNC1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H21N/c1-2-13-16-15(11-7-4-8-12-15)14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
InChIKey
BLMUJVQXHXLMDT-UHFFFAOYSA-N
Compound name
1-phenyl-N-prop-2-enylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 151.6
[M+Na]+ 238.15662 155.1
[M-H]- 214.16012 156.9
[M+NH4]+ 233.20122 171.1
[M+K]+ 254.13056 151.1
[M+H-H2O]+ 198.16466 144.4
[M+HCOO]- 260.16560 172.6
[M+CH3COO]- 274.18125 189.6
[M+Na-2H]- 236.14207 157.4
[M]+ 215.16685 145.5
[M]- 215.16795 145.5
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

No patent data available for this compound.