CID 102248890

2-{[(methoxycarbonyl)oxy]methyl}prop-2-enenitrile

Structural Information

Molecular Formula
C6H7NO3
SMILES
COC(=O)OCC(=C)C#N
InChI
InChI=1S/C6H7NO3/c1-5(3-7)4-10-6(8)9-2/h1,4H2,2H3
InChIKey
WHPZIUAQADAOGN-UHFFFAOYSA-N
Compound name
2-cyanoprop-2-enyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 126.3
[M+Na]+ 164.031808 135.6
[M-H]- 140.035314 127.4
[M+NH4]+ 159.076413 145.8
[M+K]+ 180.005748 136.1
[M+H-H2O]+ 124.039850 115.3
[M+HCOO]- 186.040791 146.0
[M+CH3COO]- 200.056441 186.0
[M+Na-2H]- 162.017256 131.1
[M]+ 141.04204142 124.0
[M]- 141.04313858 124.0
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.