CID 140377

N-methyl-p-toluamide

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1=CC=C(C=C1)C(=O)NC
InChI
InChI=1S/C9H11NO/c1-7-3-5-8(6-4-7)9(11)10-2/h3-6H,1-2H3,(H,10,11)
InChIKey
FZIOOTTWDRFBKU-UHFFFAOYSA-N
Compound name
N,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1406
Patents

149.08406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 130.0
[M+Na]+ 172.073278 137.7
[M-H]- 148.076784 134.1
[M+NH4]+ 167.117883 151.3
[M+K]+ 188.047218 136.2
[M+H-H2O]+ 132.081320 124.5
[M+HCOO]- 194.082261 155.1
[M+CH3COO]- 208.097911 178.5
[M+Na-2H]- 170.058726 136.7
[M]+ 149.08351142 129.6
[M]- 149.08460858 129.6
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