CID 3046462

62114-74-3

Structural Information

Molecular Formula
C16H23N
SMILES
CN(CCC(CC=C)C1=CC=CC=C1)CC=C
InChI
InChI=1S/C16H23N/c1-4-9-15(12-14-17(3)13-5-2)16-10-7-6-8-11-16/h4-8,10-11,15H,1-2,9,12-14H2,3H3
InChIKey
DQJJJYBFTJJVTK-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-N-prop-2-enylhex-5-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 158.2
[M+Na]+ 252.172258 162.2
[M-H]- 228.175764 162.0
[M+NH4]+ 247.216863 176.3
[M+K]+ 268.146198 159.2
[M+H-H2O]+ 212.180300 150.9
[M+HCOO]- 274.181241 181.3
[M+CH3COO]- 288.196891 200.0
[M+Na-2H]- 250.157706 160.9
[M]+ 229.18249142 159.1
[M]- 229.18358858 159.1
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.