CID 18988

Trimethylnitrosourea

Structural Information

Molecular Formula

C₄H₉N₃O₂

SMILES

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

InChI

InChI=1S/C4H9N3O2/c1-6(2)4(8)7(3)5-9/h1-3H3

InChIKey

LOEHVDVYTQIWEV-UHFFFAOYSA-N

Compound name

1,1,3-trimethyl-3-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 11
Patents: 131.06947 Da
Monoisotopic Mass: 0.4
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]+	132.076746	124.9
[M+Na]+	154.058688	131.6
[M-H]-	130.062194	130.0
[M+NH4]+	149.103293	147.9
[M+K]+	170.032628	135.7
[M+H-H2O]+	114.066730	118.7
[M+HCOO]-	176.067671	154.7
[M+CH3COO]-	190.083321	187.2
[M+Na-2H]-	152.044136	131.4
[M]+	131.06892142	128.1
[M]-	131.07001858	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe