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

2
Patents

175.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 135.1
[M+Na]+ 198.052538 142.8
[M-H]- 174.056044 139.0
[M+NH4]+ 193.097143 155.1
[M+K]+ 214.026478 140.3
[M+H-H2O]+ 158.060580 129.2
[M+HCOO]- 220.061521 160.5
[M+CH3COO]- 234.077171 181.9
[M+Na-2H]- 196.037986 141.2
[M]+ 175.06277142 135.1
[M]- 175.06386858 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