CID 214393

Phenethylamine, beta-allyl-n,n-dimethyl-

Structural Information

Molecular Formula
C13H19N
SMILES
CN(C)CC(CC=C)C1=CC=CC=C1
InChI
InChI=1S/C13H19N/c1-4-8-13(11-14(2)3)12-9-6-5-7-10-12/h4-7,9-10,13H,1,8,11H2,2-3H3
InChIKey
OUCXKHOUWCUYPB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-phenylpent-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.6
[M+Na]+ 212.140968 150.7
[M-H]- 188.144474 150.0
[M+NH4]+ 207.185573 165.5
[M+K]+ 228.114908 149.0
[M+H-H2O]+ 172.149010 138.9
[M+HCOO]- 234.149951 169.6
[M+CH3COO]- 248.165601 191.8
[M+Na-2H]- 210.126416 150.0
[M]+ 189.15120142 146.2
[M]- 189.15229858 146.2
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.