CID 82662920

1508644-03-8

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)N1CC(C1)(CC(=O)O)N

InChI

InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-5-10(11,6-12)4-7(13)14/h4-6,11H2,1-3H3,(H,13,14)

InChIKey

CBXIDVIOBWNUQV-UHFFFAOYSA-N

Compound name

2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.12666 Da
Monoisotopic Mass: -2.4
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]+	231.133936	157.7
[M+Na]+	253.115878	161.7
[M-H]-	229.119384	157.9
[M+NH4]+	248.160483	168.5
[M+K]+	269.089818	164.8
[M+H-H2O]+	213.123920	147.5
[M+HCOO]-	275.124861	173.5
[M+CH3COO]-	289.140511	191.9
[M+Na-2H]-	251.101326	159.5
[M]+	230.12611142	165.8
[M]-	230.12720858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe