CID 17930781

N-(4-formylphenyl)prop-2-enamide

Structural Information

Molecular Formula
C10H9NO2
SMILES
C=CC(=O)NC1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H9NO2/c1-2-10(13)11-9-5-3-8(7-12)4-6-9/h2-7H,1H2,(H,11,13)
InChIKey
BZPACYLJNLMLHA-UHFFFAOYSA-N
Compound name
N-(4-formylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 135.1
[M+Na]+ 198.05254 142.8
[M-H]- 174.05604 139.0
[M+NH4]+ 193.09714 155.1
[M+K]+ 214.02648 140.3
[M+H-H2O]+ 158.06058 129.2
[M+HCOO]- 220.06152 160.5
[M+CH3COO]- 234.07717 181.9
[M+Na-2H]- 196.03799 141.2
[M]+ 175.06277 135.1
[M]- 175.06387 135.1
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