CID 135531979

3570-93-2

Structural Information

Molecular Formula
C6H9N3O3
SMILES
C1CC(=NO)C(=NO)C(=NO)C1
InChI
InChI=1S/C6H9N3O3/c10-7-4-2-1-3-5(8-11)6(4)9-12/h10-12H,1-3H2
InChIKey
GKXJWSZPLIKUPS-UHFFFAOYSA-N
Compound name
N-[2,3-bis(hydroxyimino)cyclohexylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

117
Patents

171.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.071666 131.3
[M+Na]+ 194.053608 137.1
[M-H]- 170.057114 134.9
[M+NH4]+ 189.098213 150.7
[M+K]+ 210.027548 136.2
[M+H-H2O]+ 154.061650 125.1
[M+HCOO]- 216.062591 156.8
[M+CH3COO]- 230.078241 182.4
[M+Na-2H]- 192.039056 137.8
[M]+ 171.06384142 126.3
[M]- 171.06493858 126.3
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