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: 331
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]+	192.123026	144.2
[M+Na]+	214.104968	149.2
[M-H]-	190.108474	141.6
[M+NH4]+	209.149573	162.2
[M+K]+	230.078908	149.3
[M+H-H2O]+	174.113010	139.6
[M+HCOO]-	236.113951	163.0
[M+CH3COO]-	250.129601	180.1
[M+Na-2H]-	212.090416	147.6
[M]+	191.11520142	144.6
[M]-	191.11629858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe