CID 162345670

Ns00133274

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C=CC(=O)NC1=C(C=CN=C1)CO
InChI
InChI=1S/C9H10N2O2/c1-2-9(13)11-8-5-10-4-3-7(8)6-12/h2-5,12H,1,6H2,(H,11,13)
InChIKey
ZMLDITWSOZFXCE-UHFFFAOYSA-N
Compound name
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 137.2
[M+Na]+ 201.063448 144.6
[M-H]- 177.066954 138.3
[M+NH4]+ 196.108053 155.0
[M+K]+ 217.037388 141.8
[M+H-H2O]+ 161.071490 130.5
[M+HCOO]- 223.072431 159.8
[M+CH3COO]- 237.088081 179.8
[M+Na-2H]- 199.048896 143.3
[M]+ 178.07368142 136.1
[M]- 178.07477858 136.1
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

No patent data available for this compound.