CID 73555285

2-methoxyethyl cyanoformate

Structural Information

Molecular Formula
C5H7NO3
SMILES
COCCOC(=O)C#N
InChI
InChI=1S/C5H7NO3/c1-8-2-3-9-5(7)4-6/h2-3H2,1H3
InChIKey
SQTXEHNHIOVQCA-UHFFFAOYSA-N
Compound name
2-methoxyethyl cyanoformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 121.0
[M+Na]+ 152.031808 130.4
[M-H]- 128.035314 122.1
[M+NH4]+ 147.076413 141.0
[M+K]+ 168.005748 131.4
[M+H-H2O]+ 112.039850 109.9
[M+HCOO]- 174.040791 141.7
[M+CH3COO]- 188.056441 184.0
[M+Na-2H]- 150.017256 127.5
[M]+ 129.04204142 119.6
[M]- 129.04313858 119.6
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.