CID 93035

2,3-epoxypropyl 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
2
Annotation Hits

27
References

735
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

literature stripe

Patent stripe

patents stripe