CID 70779

2,2,4,4-tetramethylcyclobutane-1,3-dione dioxime

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CC1(C(=NO)C(C1=NO)(C)C)C
InChI
InChI=1S/C8H14N2O2/c1-7(2)5(9-11)8(3,4)6(7)10-12/h11-12H,1-4H3
InChIKey
HVHSYOQZXWLFGF-UHFFFAOYSA-N
Compound name
N-(3-hydroxyimino-2,2,4,4-tetramethylcyclobutylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

170.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 136.7
[M+Na]+ 193.09475 144.3
[M-H]- 169.09825 141.5
[M+NH4]+ 188.13935 154.6
[M+K]+ 209.06869 146.5
[M+H-H2O]+ 153.10279 128.9
[M+HCOO]- 215.10373 160.5
[M+CH3COO]- 229.11938 187.9
[M+Na-2H]- 191.08020 143.0
[M]+ 170.10498 145.8
[M]- 170.10608 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe