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]+ 204.17468 150.3
[M+Na]+ 226.15662 154.9
[M-H]- 202.16012 154.5
[M+NH4]+ 221.20122 169.7
[M+K]+ 242.13056 153.0
[M+H-H2O]+ 186.16466 143.4
[M+HCOO]- 248.16560 173.9
[M+CH3COO]- 262.18125 194.8
[M+Na-2H]- 224.14207 154.1
[M]+ 203.16685 151.2
[M]- 203.16795 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.