CID 22024770

4-phenylpentan-1-amine

Structural Information

Molecular Formula
C11H17N
SMILES
CC(CCCN)C1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9,12H2,1H3
InChIKey
KCJVNRYHSHVJBB-UHFFFAOYSA-N
Compound name
4-phenylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

163.1361 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 138.0
[M+Na]+ 186.12532 149.7
[M+NH4]+ 181.16992 147.2
[M+K]+ 202.09926 142.5
[M-H]- 162.12882 141.3
[M+Na-2H]- 184.11077 145.2
[M]+ 163.13555 140.5
[M]- 163.13665 140.5
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