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: 12
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]+	132.07675	126.5
[M+Na]+	154.05869	134.4
[M+NH4]+	149.10329	133.6
[M+K]+	170.03263	131.4
[M-H]-	130.06219	127.3
[M+Na-2H]-	152.04414	130.6
[M]+	131.06892	127.3
[M]-	131.07002	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe