CID 200463

N,n-diethyl-3-cyclohexene-1-methylamine hydrochloride

Structural Information

Molecular Formula
C11H21N
SMILES
CCN(CC)CC1CCC=CC1
InChI
InChI=1S/C11H21N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-6,11H,3-4,7-10H2,1-2H3
InChIKey
NESRNXFACJUDNH-UHFFFAOYSA-N
Compound name
N-(cyclohex-3-en-1-ylmethyl)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1674 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.174676 140.8
[M+Na]+ 190.156618 144.6
[M-H]- 166.160124 144.7
[M+NH4]+ 185.201223 161.6
[M+K]+ 206.130558 144.0
[M+H-H2O]+ 150.164660 134.4
[M+HCOO]- 212.165601 163.3
[M+CH3COO]- 226.181251 186.6
[M+Na-2H]- 188.142066 145.5
[M]+ 167.16685142 139.1
[M]- 167.16794858 139.1
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.