CID 135531979

Dtxsid4063084

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: 11
Patents: 171.06439 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.07167	131.3
[M+Na]+	194.05361	137.1
[M-H]-	170.05711	134.9
[M+NH4]+	189.09821	150.7
[M+K]+	210.02755	136.2
[M+H-H2O]+	154.06165	125.1
[M+HCOO]-	216.06259	156.8
[M+CH3COO]-	230.07824	182.4
[M+Na-2H]-	192.03906	137.8
[M]+	171.06384	126.3
[M]-	171.06494	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe