CID 21326207

1-amino-2,3-dimethylbutane-2,3-diol

Structural Information

Molecular Formula

C₆H₁₅NO₂

SMILES

CC(C)(C(C)(CN)O)O

InChI

InChI=1S/C6H15NO2/c1-5(2,8)6(3,9)4-7/h8-9H,4,7H2,1-3H3

InChIKey

RJJDFUWCEFSRGL-UHFFFAOYSA-N

Compound name

1-amino-2,3-dimethylbutane-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 133.11028 Da
Monoisotopic Mass: -1.2
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]+	134.11756	130.2
[M+Na]+	156.09950	136.6
[M-H]-	132.10300	127.6
[M+NH4]+	151.14410	150.5
[M+K]+	172.07344	135.8
[M+H-H2O]+	116.10754	126.9
[M+HCOO]-	178.10848	148.7
[M+CH3COO]-	192.12413	170.8
[M+Na-2H]-	154.08495	136.8
[M]+	133.10973	127.7
[M]-	133.11083	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe