CID 22051433

3-formyl-n-methylbenzamide

Structural Information

Molecular Formula
C9H9NO2
SMILES
CNC(=O)C1=CC=CC(=C1)C=O
InChI
InChI=1S/C9H9NO2/c1-10-9(12)8-4-2-3-7(5-8)6-11/h2-6H,1H3,(H,10,12)
InChIKey
RUAHSNUDSPSSSD-UHFFFAOYSA-N
Compound name
3-formyl-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

163.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.8
[M+Na]+ 186.05254 139.7
[M-H]- 162.05604 135.9
[M+NH4]+ 181.09714 152.4
[M+K]+ 202.02648 138.1
[M+H-H2O]+ 146.06058 126.1
[M+HCOO]- 208.06152 157.4
[M+CH3COO]- 222.07717 179.7
[M+Na-2H]- 184.03799 138.5
[M]+ 163.06277 132.2
[M]- 163.06387 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe