CID 11916

N,n-dimethylbenzamide

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

11
References

10011
Patents

149.08406 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.3
[M+Na]+ 172.07328 137.1
[M-H]- 148.07678 135.5
[M+NH4]+ 167.11788 151.9
[M+K]+ 188.04722 137.0
[M+H-H2O]+ 132.08132 124.3
[M+HCOO]- 194.08226 155.9
[M+CH3COO]- 208.09791 181.0
[M+Na-2H]- 170.05873 136.9
[M]+ 149.08351 130.8
[M]- 149.08461 130.8
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