CID 135487944

Heptoxime

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1CCC(=NO)C(=NO)CC1

InChI

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

InChIKey

LJIRXNPXTVQOEU-UHFFFAOYSA-N

Compound name

N-(2-hydroxyiminocycloheptylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 357
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]+	157.097146	128.8
[M+Na]+	179.079088	131.8
[M-H]-	155.082594	133.1
[M+NH4]+	174.123693	147.6
[M+K]+	195.053028	135.8
[M+H-H2O]+	139.087130	123.1
[M+HCOO]-	201.088071	151.5
[M+CH3COO]-	215.103721	180.2
[M+Na-2H]-	177.064536	134.6
[M]+	156.08932142	120.9
[M]-	156.09041858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe