CID 12365

Nitrooxymethyl nitrate

Structural Information

Molecular Formula
CH2N2O6
SMILES
C(O[N+](=O)[O-])O[N+](=O)[O-]
InChI
InChI=1S/CH2N2O6/c4-2(5)8-1-9-3(6)7/h1H2
InChIKey
MKQRTTJKPCAWRP-UHFFFAOYSA-N
Compound name
nitrooxymethyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

137.99129 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.99857 121.7
[M+Na]+ 160.98051 128.8
[M-H]- 136.98401 122.6
[M+NH4]+ 156.02511 141.0
[M+K]+ 176.95445 122.8
[M+H-H2O]+ 120.98855 126.0
[M+HCOO]- 182.98949 149.1
[M+CH3COO]- 197.00514 160.4
[M+Na-2H]- 158.96596 132.9
[M]+ 137.99074 121.3
[M]- 137.99184 121.3
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