CID 222281

N-benzyl-3-methylaniline

Structural Information

Molecular Formula
C14H15N
SMILES
CC1=CC(=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C14H15N/c1-12-6-5-9-14(10-12)15-11-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3
InChIKey
HHZDSDSOSVITOZ-UHFFFAOYSA-N
Compound name
N-benzyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

129
Patents

197.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.127726 143.1
[M+Na]+ 220.109668 149.9
[M-H]- 196.113174 149.8
[M+NH4]+ 215.154273 162.1
[M+K]+ 236.083608 145.9
[M+H-H2O]+ 180.117710 135.9
[M+HCOO]- 242.118651 168.6
[M+CH3COO]- 256.134301 188.0
[M+Na-2H]- 218.095116 151.0
[M]+ 197.11990142 141.9
[M]- 197.12099858 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