CID 13603863

87484-83-1

Structural Information

Molecular Formula

C₅H₁₃N₃O

SMILES

CC(C)(CNC(=O)N)N

InChI

InChI=1S/C5H13N3O/c1-5(2,7)3-8-4(6)9/h3,7H2,1-2H3,(H3,6,8,9)

InChIKey

IJPSRXDFSSPKQT-UHFFFAOYSA-N

Compound name

(2-amino-2-methylpropyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 131.10587 Da
Monoisotopic Mass: -1.4
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]+	132.113146	128.5
[M+Na]+	154.095088	134.1
[M-H]-	130.098594	128.1
[M+NH4]+	149.139693	149.1
[M+K]+	170.069028	134.0
[M+H-H2O]+	114.103130	123.4
[M+HCOO]-	176.104071	152.2
[M+CH3COO]-	190.119721	179.1
[M+Na-2H]-	152.080536	133.8
[M]+	131.10532142	124.3
[M]-	131.10641858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe