CID 86678213

Refchem:821500

Structural Information

Molecular Formula

C₅H₁₂N₂O₂

SMILES

CC(C)(CO)C(=NO)N

InChI

InChI=1S/C5H12N2O2/c1-5(2,3-8)4(6)7-9/h8-9H,3H2,1-2H3,(H2,6,7)

InChIKey

XJGKEEPGGBLSDL-UHFFFAOYSA-N

Compound name

N',3-dihydroxy-2,2-dimethylpropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 132.08987 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]+	133.097146	128.1
[M+Na]+	155.079088	134.1
[M-H]-	131.082594	126.9
[M+NH4]+	150.123693	148.6
[M+K]+	171.053028	134.0
[M+H-H2O]+	115.087130	123.6
[M+HCOO]-	177.088071	150.2
[M+CH3COO]-	191.103721	174.2
[M+Na-2H]-	153.064536	133.9
[M]+	132.08932142	125.3
[M]-	132.09041858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe