CID 3046460

62114-73-2

Structural Information

Molecular Formula
C14H21N
SMILES
CN(C)CCC(CC=C)C1=CC=CC=C1
InChI
InChI=1S/C14H21N/c1-4-8-13(11-12-15(2)3)14-9-6-5-7-10-14/h4-7,9-10,13H,1,8,11-12H2,2-3H3
InChIKey
XVPJVVBSRJPJFW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenylhex-5-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 150.3
[M+Na]+ 226.156618 154.9
[M-H]- 202.160124 154.5
[M+NH4]+ 221.201223 169.7
[M+K]+ 242.130558 153.0
[M+H-H2O]+ 186.164660 143.4
[M+HCOO]- 248.165601 173.9
[M+CH3COO]- 262.181251 194.8
[M+Na-2H]- 224.142066 154.1
[M]+ 203.16685142 151.2
[M]- 203.16794858 151.2
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.