CID 10631565

N-boc-serinol

Structural Information

Molecular Formula

C₈H₁₇NO₄

SMILES

CC(C)(C)OC(=O)NC(CO)CO

InChI

InChI=1S/C8H17NO4/c1-8(2,3)13-7(12)9-6(4-10)5-11/h6,10-11H,4-5H2,1-3H3,(H,9,12)

InChIKey

JHBKBRLRYPYBLP-UHFFFAOYSA-N

Compound name

tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 377
Patents: 191.11575 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]+	192.12303	143.3
[M+Na]+	214.10497	149.2
[M+NH4]+	209.14957	148.0
[M+K]+	230.07891	147.8
[M-H]-	190.10847	139.5
[M+Na-2H]-	212.09042	143.5
[M]+	191.11520	142.4
[M]-	191.11630	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe