CID 13708302

2-phenylpent-4-en-1-amine

Structural Information

Molecular Formula
C11H15N
SMILES
C=CCC(CN)C1=CC=CC=C1
InChI
InChI=1S/C11H15N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-8,11H,1,6,9,12H2
InChIKey
JGJGGQQQBJYWGS-UHFFFAOYSA-N
Compound name
2-phenylpent-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

171
Patents

161.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 137.0
[M+Na]+ 184.10967 142.7
[M-H]- 160.11317 139.7
[M+NH4]+ 179.15427 157.1
[M+K]+ 200.08361 139.8
[M+H-H2O]+ 144.11771 130.9
[M+HCOO]- 206.11865 160.5
[M+CH3COO]- 220.13430 181.5
[M+Na-2H]- 182.09512 142.1
[M]+ 161.11990 134.5
[M]- 161.12100 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe