CID 263002

33863-82-0

Structural Information

Molecular Formula
C15H17N
SMILES
CC1=CC=C(C=C1)NC(C)C2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-12-8-10-15(11-9-12)16-13(2)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3
InChIKey
OPSCELGIEGNCMF-UHFFFAOYSA-N
Compound name
4-methyl-N-(1-phenylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 149.8
[M+Na]+ 234.12532 164.4
[M+NH4]+ 229.16992 159.7
[M+K]+ 250.09926 155.7
[M-H]- 210.12882 156.1
[M+Na-2H]- 232.11077 160.4
[M]+ 211.13555 153.8
[M]- 211.13665 153.8
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