CID 9578503

2-azidocyclohexanone oxime

Structural Information

Molecular Formula

C₆H₁₀N₄O

SMILES

C1CC/C(=N\O)/C(C1)N=[N+]=[N-]

InChI

InChI=1S/C6H10N4O/c7-10-8-5-3-1-2-4-6(5)9-11/h5,11H,1-4H2/b9-6+

InChIKey

FQAZKWGXVRQNGR-RMKNXTFCSA-N

Compound name

(NE)-N-(2-azidocyclohexylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.08546 Da
Monoisotopic Mass: 2.2
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]+	155.092736	127.4
[M+Na]+	177.074678	132.0
[M-H]-	153.078184	133.1
[M+NH4]+	172.119283	147.9
[M+K]+	193.048618	127.3
[M+H-H2O]+	137.082720	125.3
[M+HCOO]-	199.083661	156.8
[M+CH3COO]-	213.099311	179.6
[M+Na-2H]-	175.060126	137.4
[M]+	154.08491142	120.3
[M]-	154.08600858	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe