CID 105349

Ethyl hydrogen carbonate

Structural Information

Molecular Formula
C3H6O3
SMILES
CCOC(=O)O
InChI
InChI=1S/C3H6O3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)
InChIKey
CQDGTJPVBWZJAZ-UHFFFAOYSA-N
Compound name
ethyl hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

84889
Patents

90.03169 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.038966 113.4
[M+Na]+ 113.02091 121.6
[M-H]- 89.024414 112.9
[M+NH4]+ 108.06551 136.5
[M+K]+ 128.99485 122.5
[M+H-H2O]+ 73.028950 109.6
[M+HCOO]- 135.02989 136.6
[M+CH3COO]- 149.04554 160.6
[M+Na-2H]- 111.00636 120.4
[M]+ 90.031141 114.6
[M]- 90.032239 114.6
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.