CID 93035

Glycidyl nitrate

Structural Information

Molecular Formula
C3H5NO4
SMILES
C1C(O1)CO[N+](=O)[O-]
InChI
InChI=1S/C3H5NO4/c5-4(6)8-2-3-1-7-3/h3H,1-2H2
InChIKey
ADZAAKGRMMGJKM-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

756
Patents

119.02186 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02914 116.4
[M+Na]+ 142.01108 126.0
[M-H]- 118.01458 122.2
[M+NH4]+ 137.05568 132.1
[M+K]+ 157.98502 122.9
[M+H-H2O]+ 102.01912 115.3
[M+HCOO]- 164.02006 142.1
[M+CH3COO]- 178.03571 166.0
[M+Na-2H]- 139.99653 127.6
[M]+ 119.02131 120.1
[M]- 119.02241 120.1
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.