CID 22346961

3-{[(tert-butoxy)carbonyl](2-hydroxyethyl)amino}propanoicacid

Structural Information

Molecular Formula

C₁₀H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N(CCC(=O)O)CCO

InChI

InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11(6-7-12)5-4-8(13)14/h12H,4-7H2,1-3H3,(H,13,14)

InChIKey

HKVQWBJTOOSNIP-UHFFFAOYSA-N

Compound name

3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 233.12633 Da
Monoisotopic Mass: -0.1
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]+	234.133606	153.3
[M+Na]+	256.115548	157.9
[M-H]-	232.119054	152.0
[M+NH4]+	251.160153	170.2
[M+K]+	272.089488	159.0
[M+H-H2O]+	216.123590	148.2
[M+HCOO]-	278.124531	172.5
[M+CH3COO]-	292.140181	190.8
[M+Na-2H]-	254.100996	155.4
[M]+	233.12578142	156.6
[M]-	233.12687858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe