CID 3142088

(2-phenylethyl)propylamine

Structural Information

Molecular Formula
C11H17N
SMILES
CCCNCCC1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-2-9-12-10-8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey
IIIRPZWDICEMGU-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

211
Patents

163.1361 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.9
[M+Na]+ 186.12532 142.6
[M-H]- 162.12882 140.0
[M+NH4]+ 181.16992 157.4
[M+K]+ 202.09926 140.2
[M+H-H2O]+ 146.13336 130.7
[M+HCOO]- 208.13430 161.9
[M+CH3COO]- 222.14995 182.3
[M+Na-2H]- 184.11077 144.5
[M]+ 163.13555 136.8
[M]- 163.13665 136.8
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