CID 10559205

4-formyl-n,n-dimethylbenzamide

Structural Information

Molecular Formula
C10H11NO2
SMILES
CN(C)C(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H11NO2/c1-11(2)10(13)9-5-3-8(7-12)4-6-9/h3-7H,1-2H3
InChIKey
RXRYFFTVFMQTKA-UHFFFAOYSA-N
Compound name
4-formyl-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

177.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.0
[M+Na]+ 200.06820 143.6
[M-H]- 176.07170 141.4
[M+NH4]+ 195.11280 156.6
[M+K]+ 216.04214 143.2
[M+H-H2O]+ 160.07624 129.9
[M+HCOO]- 222.07718 161.7
[M+CH3COO]- 236.09283 186.3
[M+Na-2H]- 198.05365 141.4
[M]+ 177.07843 138.0
[M]- 177.07953 138.0
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