CID 11735980

Benzenepropanamine, n-phenyl-

Structural Information

Molecular Formula
C15H17N
SMILES
C1=CC=C(C=C1)CCCNC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,7,10,13H2
InChIKey
TZHYFNJRLMHJCM-UHFFFAOYSA-N
Compound name
N-(3-phenylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

211.1361 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 147.7
[M+Na]+ 234.12532 153.1
[M-H]- 210.12882 153.7
[M+NH4]+ 229.16992 165.7
[M+K]+ 250.09926 148.8
[M+H-H2O]+ 194.13336 140.0
[M+HCOO]- 256.13430 172.8
[M+CH3COO]- 270.14995 190.0
[M+Na-2H]- 232.11077 155.7
[M]+ 211.13555 146.4
[M]- 211.13665 146.4
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