CID 130874220

N-(1,2-oxazol-3-yl)but-2-ynamide

Structural Information

Molecular Formula
C7H6N2O2
SMILES
CC#CC(=O)NC1=NOC=C1
InChI
InChI=1S/C7H6N2O2/c1-2-3-7(10)8-6-4-5-11-9-6/h4-5H,1H3,(H,8,9,10)
InChIKey
FRPRAJKOKNDYIZ-UHFFFAOYSA-N
Compound name
N-(1,2-oxazol-3-yl)but-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.050196 129.5
[M+Na]+ 173.032138 139.1
[M-H]- 149.035644 130.4
[M+NH4]+ 168.076743 146.8
[M+K]+ 189.006078 137.8
[M+H-H2O]+ 133.040180 116.3
[M+HCOO]- 195.041121 147.7
[M+CH3COO]- 209.056771 182.6
[M+Na-2H]- 171.017586 135.1
[M]+ 150.04237142 124.6
[M]- 150.04346858 124.6
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.