CID 3018737

N-isopropyl-m-vinylphenethylamine

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C)NCCC1=CC(=CC=C1)C=C
InChI
InChI=1S/C13H19N/c1-4-12-6-5-7-13(10-12)8-9-14-11(2)3/h4-7,10-11,14H,1,8-9H2,2-3H3
InChIKey
ARYXMXUOJQMGCO-UHFFFAOYSA-N
Compound name
N-[2-(3-ethenylphenyl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 145.1
[M+Na]+ 212.140968 151.0
[M-H]- 188.144474 148.4
[M+NH4]+ 207.185573 164.7
[M+K]+ 228.114908 147.9
[M+H-H2O]+ 172.149010 138.9
[M+HCOO]- 234.149951 168.6
[M+CH3COO]- 248.165601 189.4
[M+Na-2H]- 210.126416 149.6
[M]+ 189.15120142 144.8
[M]- 189.15229858 144.8
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

patents stripe