CID 379004

Nsc662773

Structural Information

Molecular Formula
C5H4N2O2
SMILES
C#CCOC(=O)C=[N+]=[N-]
InChI
InChI=1S/C5H4N2O2/c1-2-3-9-5(8)4-7-6/h1,4H,3H2
InChIKey
ZCMNBAFKLFHXOE-UHFFFAOYSA-N
Compound name
prop-2-ynyl 2-diazoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

124.027275 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03455 127.9
[M+Na]+ 147.01649 137.1
[M-H]- 123.02000 128.8
[M+NH4]+ 142.06110 147.3
[M+K]+ 162.99043 132.3
[M+H-H2O]+ 107.02454 121.1
[M+HCOO]- 169.02548 149.8
[M+CH3COO]- 183.04113 177.4
[M+Na-2H]- 145.00194 135.1
[M]+ 124.02673 121.3
[M]- 124.02782 121.3
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.