CID 69191

N-benzyl-n-methylaniline

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1079
Patents

197.12045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.127726 143.6
[M+Na]+ 220.109668 149.5
[M-H]- 196.113174 151.3
[M+NH4]+ 215.154273 162.8
[M+K]+ 236.083608 146.9
[M+H-H2O]+ 180.117710 135.9
[M+HCOO]- 242.118651 169.5
[M+CH3COO]- 256.134301 190.5
[M+Na-2H]- 218.095116 151.4
[M]+ 197.11990142 143.2
[M]- 197.12099858 143.2
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