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]+ 151.05020 129.5
[M+Na]+ 173.03214 139.1
[M-H]- 149.03564 130.4
[M+NH4]+ 168.07674 146.8
[M+K]+ 189.00608 137.8
[M+H-H2O]+ 133.04018 116.3
[M+HCOO]- 195.04112 147.7
[M+CH3COO]- 209.05677 182.6
[M+Na-2H]- 171.01759 135.1
[M]+ 150.04237 124.6
[M]- 150.04347 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.