CID 77577

2,3-dimethyl-2,3-dinitrobutane

Structural Information

Molecular Formula
C6H12N2O4
SMILES
CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
InChIKey
DWCLXOREGBLXTD-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2,3-dinitrobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

588
Patents

176.07971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08699 154.4
[M+Na]+ 199.06893 160.6
[M+NH4]+ 194.11353 163.4
[M+K]+ 215.04287 170.3
[M-H]- 175.07243 150.2
[M+Na-2H]- 197.05438 153.7
[M]+ 176.07916 156.3
[M]- 176.08026 156.3
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