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

4310
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

literature stripe

Patent stripe

patents stripe