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

102
Patents

163.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 131.8
[M+Na]+ 186.052538 139.7
[M-H]- 162.056044 135.9
[M+NH4]+ 181.097143 152.4
[M+K]+ 202.026478 138.1
[M+H-H2O]+ 146.060580 126.1
[M+HCOO]- 208.061521 157.4
[M+CH3COO]- 222.077171 179.7
[M+Na-2H]- 184.037986 138.5
[M]+ 163.06277142 132.2
[M]- 163.06386858 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