CID 11735980

1738-99-4

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

180
Patents

211.1361 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 147.7
[M+Na]+ 234.125318 153.1
[M-H]- 210.128824 153.7
[M+NH4]+ 229.169923 165.7
[M+K]+ 250.099258 148.8
[M+H-H2O]+ 194.133360 140.0
[M+HCOO]- 256.134301 172.8
[M+CH3COO]- 270.149951 190.0
[M+Na-2H]- 232.110766 155.7
[M]+ 211.13555142 146.4
[M]- 211.13664858 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