CID 23273394

3-amino-1-(2-methylpropyl)urea

Structural Information

Molecular Formula

C₅H₁₃N₃O

SMILES

CC(C)CNC(=O)NN

InChI

InChI=1S/C5H13N3O/c1-4(2)3-7-5(9)8-6/h4H,3,6H2,1-2H3,(H2,7,8,9)

InChIKey

WJBSWVUVFXMIBD-UHFFFAOYSA-N

Compound name

1-amino-3-(2-methylpropyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 131.10587 Da
Monoisotopic Mass: -0.8
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]+	132.11315	129.1
[M+Na]+	154.09509	135.5
[M+NH4]+	149.13969	135.7
[M+K]+	170.06903	132.3
[M-H]-	130.09859	129.0
[M+Na-2H]-	152.08054	131.6
[M]+	131.10532	129.3
[M]-	131.10642	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe