CID 292893

N-[(4-methylphenyl)methyl]aniline

Structural Information

Molecular Formula
C14H15N
SMILES
CC1=CC=C(C=C1)CNC2=CC=CC=C2
InChI
InChI=1S/C14H15N/c1-12-7-9-13(10-8-12)11-15-14-5-3-2-4-6-14/h2-10,15H,11H2,1H3
InChIKey
LFPDICHOBQRBKC-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

197.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12773 143.1
[M+Na]+ 220.10967 149.9
[M-H]- 196.11317 149.8
[M+NH4]+ 215.15427 162.1
[M+K]+ 236.08361 145.9
[M+H-H2O]+ 180.11771 135.9
[M+HCOO]- 242.11865 168.6
[M+CH3COO]- 256.13430 188.0
[M+Na-2H]- 218.09512 151.0
[M]+ 197.11990 141.9
[M]- 197.12100 141.9
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