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]+ 142.04987 126.3
[M+Na]+ 164.03181 135.6
[M-H]- 140.03531 127.4
[M+NH4]+ 159.07641 145.8
[M+K]+ 180.00575 136.1
[M+H-H2O]+ 124.03985 115.3
[M+HCOO]- 186.04079 146.0
[M+CH3COO]- 200.05644 186.0
[M+Na-2H]- 162.01726 131.1
[M]+ 141.04204 124.0
[M]- 141.04314 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.