CID 13141646

2,3-dinitrosobutanbildung

Structural Information

Molecular Formula
C4H8N2O2
SMILES
CC(C(C)N=O)N=O
InChI
InChI=1S/C4H8N2O2/c1-3(5-7)4(2)6-8/h3-4H,1-2H3
InChIKey
WTPHDERCPWEBOS-UHFFFAOYSA-N
Compound name
2,3-dinitrosobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

105
References

2660
Patents

116.05858 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.065856 120.3
[M+Na]+ 139.047798 127.5
[M-H]- 115.051304 123.8
[M+NH4]+ 134.092403 143.5
[M+K]+ 155.021738 130.2
[M+H-H2O]+ 99.055840 114.8
[M+HCOO]- 161.056781 148.6
[M+CH3COO]- 175.072431 180.0
[M+Na-2H]- 137.033246 127.4
[M]+ 116.05803142 123.2
[M]- 116.05912858 123.2
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