CID 85254

16051-48-2

Structural Information

Molecular Formula
C2H5NO4
SMILES
C(CO[N+](=O)[O-])O
InChI
InChI=1S/C2H5NO4/c4-1-2-7-3(5)6/h4H,1-2H2
InChIKey
HTKIMWYSDZQQBP-UHFFFAOYSA-N
Compound name
2-hydroxyethyl nitrate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

402
Patents

107.02186 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.029136 115.3
[M+Na]+ 130.011078 123.0
[M-H]- 106.014584 114.8
[M+NH4]+ 125.055683 136.8
[M+K]+ 145.985018 119.9
[M+H-H2O]+ 90.019120 115.9
[M+HCOO]- 152.020061 140.7
[M+CH3COO]- 166.035711 157.3
[M+Na-2H]- 127.996526 124.8
[M]+ 107.02131142 115.0
[M]- 107.02240858 115.0
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