CID 97349

33024-62-3

Structural Information

Molecular Formula

C₇H₁₃N₃O₃

SMILES

CN(C(=O)NC1CCOCC1)N=O

InChI

InChI=1S/C7H13N3O3/c1-10(9-12)7(11)8-6-2-4-13-5-3-6/h6H,2-5H2,1H3,(H,8,11)

InChIKey

YNCHGGQBYMXIDI-UHFFFAOYSA-N

Compound name

1-methyl-1-nitroso-3-(oxan-4-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.09569 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]+	188.10297	141.1
[M+Na]+	210.08491	148.2
[M+NH4]+	205.12951	147.9
[M+K]+	226.05885	145.0
[M-H]-	186.08841	144.5
[M+Na-2H]-	208.07036	144.9
[M]+	187.09514	142.5
[M]-	187.09624	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.