CID 19012483

1-amino-3-(tert-butoxy)propan-2-ol

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

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

InChI

InChI=1S/C7H17NO2/c1-7(2,3)10-5-6(9)4-8/h6,9H,4-5,8H2,1-3H3

InChIKey

ZKHHFKLWZNETDR-UHFFFAOYSA-N

Compound name

1-amino-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 147.12593 Da
Monoisotopic Mass: -0.5
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]+	148.13321	135.1
[M+Na]+	170.11515	140.9
[M-H]-	146.11865	133.6
[M+NH4]+	165.15975	155.5
[M+K]+	186.08909	140.9
[M+H-H2O]+	130.12319	130.8
[M+HCOO]-	192.12413	155.4
[M+CH3COO]-	206.13978	176.1
[M+Na-2H]-	168.10060	139.6
[M]+	147.12538	134.7
[M]-	147.12648	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe