CID 45092024

206268-17-9

Structural Information

Molecular Formula

C₉H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NCC(CCN)O

InChI

InChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13)

InChIKey

GJAHMDCXXHDWSC-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-amino-2-hydroxybutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.1474 Da
Monoisotopic Mass: -0.3
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]+	205.15468	149.7
[M+Na]+	227.13662	153.9
[M-H]-	203.14012	147.8
[M+NH4]+	222.18122	167.3
[M+K]+	243.11056	153.8
[M+H-H2O]+	187.14466	144.3
[M+HCOO]-	249.14560	169.8
[M+CH3COO]-	263.16125	188.0
[M+Na-2H]-	225.12207	152.2
[M]+	204.14685	149.0
[M]-	204.14795	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe