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
1
Annotation Hits

2
References

303
Patents

107.02186 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02914 115.3
[M+Na]+ 130.01108 123.0
[M-H]- 106.01458 114.8
[M+NH4]+ 125.05568 136.8
[M+K]+ 145.98502 119.9
[M+H-H2O]+ 90.019120 115.9
[M+HCOO]- 152.02006 140.7
[M+CH3COO]- 166.03571 157.3
[M+Na-2H]- 127.99653 124.8
[M]+ 107.02131 115.0
[M]- 107.02241 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