CID 145783

2-nitroso-2-nitropropane

Structural Information

Molecular Formula
C3H6N2O3
SMILES
CC(C)(N=O)[N+](=O)[O-]
InChI
InChI=1S/C3H6N2O3/c1-3(2,4-6)5(7)8/h1-2H3
InChIKey
MYRROMXOABKDLG-UHFFFAOYSA-N
Compound name
2-nitro-2-nitrosopropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

118.03784 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.04512 117.6
[M+Na]+ 141.02706 125.6
[M-H]- 117.03056 120.2
[M+NH4]+ 136.07166 139.9
[M+K]+ 157.00100 123.4
[M+H-H2O]+ 101.03510 118.1
[M+HCOO]- 163.03604 145.2
[M+CH3COO]- 177.05169 167.8
[M+Na-2H]- 139.01251 129.0
[M]+ 118.03729 118.0
[M]- 118.03839 118.0
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