CID 2724267

Formaldoxime trimer hydrochloride

Structural Information

Molecular Formula

C₃H₉N₃O₃

SMILES

C1N(CN(CN1O)O)O

InChI

InChI=1S/C3H9N3O3/c7-4-1-5(8)3-6(9)2-4/h7-9H,1-3H2

InChIKey

OQNZZNCBHGKBDH-UHFFFAOYSA-N

Compound name

1,3,5-trihydroxy-1,3,5-triazinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 135.06439 Da
Monoisotopic Mass: -1.1
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]+	136.07167	128.3
[M+Na]+	158.05361	135.7
[M-H]-	134.05711	123.8
[M+NH4]+	153.09821	144.1
[M+K]+	174.02755	134.3
[M+H-H2O]+	118.06165	121.7
[M+HCOO]-	180.06259	142.5
[M+CH3COO]-	194.07824	163.6
[M+Na-2H]-	156.03906	133.4
[M]+	135.06384	122.7
[M]-	135.06494	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe