CID 61172

Dinitromethane

Structural Information

Molecular Formula
CH2N2O4
SMILES
C([N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/CH2N2O4/c4-2(5)1-3(6)7/h1H2
InChIKey
WINNISSSXBRWMA-UHFFFAOYSA-N
Compound name
dinitromethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

263
Patents

106.00146 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.00874 116.4
[M+Na]+ 128.99068 123.9
[M-H]- 104.99418 117.4
[M+NH4]+ 124.03528 137.1
[M+K]+ 144.96462 117.1
[M+H-H2O]+ 88.998720 121.3
[M+HCOO]- 150.99966 143.5
[M+CH3COO]- 165.01531 156.4
[M+Na-2H]- 126.97613 127.1
[M]+ 106.00091 113.4
[M]- 106.00201 113.4
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