CID 135408678

Heptoxime

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CC/C(=N/O)/C(=N\O)/CC1

InChI

InChI=1S/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2/b8-6-,9-7-

InChIKey

LJIRXNPXTVQOEU-VRHVFUOLSA-N

Compound name

(NZ)-N-[(2Z)-2-hydroxyiminocycloheptylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 323
Patents: 156.08987 Da
Monoisotopic Mass: 1.0
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]+	157.09715	131.2
[M+Na]+	179.07909	137.9
[M+NH4]+	174.12369	137.9
[M+K]+	195.05303	134.7
[M-H]-	155.08259	132.6
[M+Na-2H]-	177.06454	135.6
[M]+	156.08932	132.1
[M]-	156.09042	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe