CID 3046458

62114-72-1

Structural Information

Molecular Formula
C13H19N
SMILES
CNCCC(CC=C)C1=CC=CC=C1
InChI
InChI=1S/C13H19N/c1-3-7-12(10-11-14-2)13-8-5-4-6-9-13/h3-6,8-9,12,14H,1,7,10-11H2,2H3
InChIKey
WUCYLMTVJKEINR-UHFFFAOYSA-N
Compound name
N-methyl-3-phenylhex-5-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 145.7
[M+Na]+ 212.14097 150.5
[M-H]- 188.14447 148.5
[M+NH4]+ 207.18557 164.9
[M+K]+ 228.11491 147.4
[M+H-H2O]+ 172.14901 139.1
[M+HCOO]- 234.14995 169.1
[M+CH3COO]- 248.16560 188.3
[M+Na-2H]- 210.12642 150.8
[M]+ 189.15120 144.9
[M]- 189.15230 144.9
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.