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]+ 216.174676 151.6
[M+Na]+ 238.156618 155.1
[M-H]- 214.160124 156.9
[M+NH4]+ 233.201223 171.1
[M+K]+ 254.130558 151.1
[M+H-H2O]+ 198.164660 144.4
[M+HCOO]- 260.165601 172.6
[M+CH3COO]- 274.181251 189.6
[M+Na-2H]- 236.142066 157.4
[M]+ 215.16685142 145.5
[M]- 215.16794858 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.