CID 3838134

3-(boc-amino)-1-propanol

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NCCCO

InChI

InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)

InChIKey

XDJCYKMWJCYQJM-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-hydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3036
Patents: 175.12085 Da
Monoisotopic Mass: 0.6
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]+	176.12813	140.1
[M+Na]+	198.11007	147.5
[M+NH4]+	193.15467	146.0
[M+K]+	214.08401	144.3
[M-H]-	174.11357	137.7
[M+Na-2H]-	196.09552	141.8
[M]+	175.12030	140.1
[M]-	175.12140	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe