CID 12968718

34573-36-9

Structural Information

Molecular Formula

C₈H₁₄ClNO₄

SMILES

CC(C)(C)OC(=O)NCC(=O)OCCl

InChI

InChI=1S/C8H14ClNO4/c1-8(2,3)14-7(12)10-4-6(11)13-5-9/h4-5H2,1-3H3,(H,10,12)

InChIKey

DUFKNCLUXASETI-UHFFFAOYSA-N

Compound name

chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 223.06114 Da
Monoisotopic Mass: 1.5
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]+	224.06842	146.6
[M+Na]+	246.05036	153.7
[M-H]-	222.05386	147.1
[M+NH4]+	241.09496	165.8
[M+K]+	262.02430	152.8
[M+H-H2O]+	206.05840	142.9
[M+HCOO]-	268.05934	164.3
[M+CH3COO]-	282.07499	187.3
[M+Na-2H]-	244.03581	151.0
[M]+	223.06059	152.1
[M]-	223.06169	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe