CID 21116356

(n-cyano-c-methoxycarbonimidoyl) methyl carbonate

Structural Information

Molecular Formula
C5H6N2O4
SMILES
COC(=NC#N)OC(=O)OC
InChI
InChI=1S/C5H6N2O4/c1-9-4(7-3-6)11-5(8)10-2/h1-2H3
InChIKey
JQLATFLBZWFAAZ-UHFFFAOYSA-N
Compound name
(N-cyano-C-methoxycarbonimidoyl) methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.03276 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.040036 128.3
[M+Na]+ 181.021978 137.3
[M-H]- 157.025484 130.6
[M+NH4]+ 176.066583 147.5
[M+K]+ 196.995918 139.6
[M+H-H2O]+ 141.030020 116.4
[M+HCOO]- 203.030961 150.6
[M+CH3COO]- 217.046611 190.1
[M+Na-2H]- 179.007426 134.0
[M]+ 158.03221142 127.5
[M]- 158.03330858 127.5
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.