CID 12259

Ethyl nitrate

Structural Information

Molecular Formula
C2H5NO3
SMILES
CCO[N+](=O)[O-]
InChI
InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3
InChIKey
IDNUEBSJWINEMI-UHFFFAOYSA-N
Compound name
ethyl nitrate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

4381
Patents

91.02694 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.034216 112.3
[M+Na]+ 114.01616 120.5
[M-H]- 90.019664 113.3
[M+NH4]+ 109.06076 135.3
[M+K]+ 129.99010 118.0
[M+H-H2O]+ 74.024200 113.0
[M+HCOO]- 136.02514 139.0
[M+CH3COO]- 150.04079 158.3
[M+Na-2H]- 112.00161 122.2
[M]+ 91.026391 112.6
[M]- 91.027489 112.6
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.