CID 427307

3-(3-phenylpropyl)aniline

Structural Information

Molecular Formula
C15H17N
SMILES
C1=CC=C(C=C1)CCCC2=CC(=CC=C2)N
InChI
InChI=1S/C15H17N/c16-15-11-5-10-14(12-15)9-4-8-13-6-2-1-3-7-13/h1-3,5-7,10-12H,4,8-9,16H2
InChIKey
RZPAYIGFFATDFM-UHFFFAOYSA-N
Compound name
3-(3-phenylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

211.1361 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 148.4
[M+Na]+ 234.125318 154.7
[M-H]- 210.128824 154.3
[M+NH4]+ 229.169923 166.5
[M+K]+ 250.099258 150.1
[M+H-H2O]+ 194.133360 140.9
[M+HCOO]- 256.134301 172.9
[M+CH3COO]- 270.149951 190.4
[M+Na-2H]- 232.110766 154.6
[M]+ 211.13555142 146.5
[M]- 211.13664858 146.5
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