CID 6433752

3-butenylamine, n,n-dimethyl-4-(o-phenethylphenyl)-, fumarate (1:1)

Structural Information

Molecular Formula
C20H25N
SMILES
CN(C)CC/C=C/C1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C20H25N/c1-21(2)17-9-8-14-19-12-6-7-13-20(19)16-15-18-10-4-3-5-11-18/h3-8,10-14H,9,15-17H2,1-2H3/b14-8+
InChIKey
VOWFFOPHKVLLEP-RIYZIHGNSA-N
Compound name
(E)-N,N-dimethyl-4-[2-(2-phenylethyl)phenyl]but-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.205976 170.4
[M+Na]+ 302.187918 175.0
[M-H]- 278.191424 177.3
[M+NH4]+ 297.232523 186.5
[M+K]+ 318.161858 170.3
[M+H-H2O]+ 262.195960 161.6
[M+HCOO]- 324.196901 194.4
[M+CH3COO]- 338.212551 208.0
[M+Na-2H]- 300.173366 174.0
[M]+ 279.19815142 171.6
[M]- 279.19924858 171.6
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.