CID 10487212

4-formyl-n-methylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

163.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 133.4
[M+Na]+ 186.05254 145.3
[M+NH4]+ 181.09714 141.3
[M+K]+ 202.02648 139.5
[M-H]- 162.05604 135.4
[M+Na-2H]- 184.03799 140.1
[M]+ 163.06277 135.4
[M]- 163.06387 135.4
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