CID 137952049

2219380-13-7

Structural Information

Molecular Formula

C₉H₁₆ClNO₄

SMILES

CC(OC(=O)CNC(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C9H16ClNO4/c1-6(10)14-7(12)5-11-8(13)15-9(2,3)4/h6H,5H2,1-4H3,(H,11,13)

InChIKey

WBYWODCMSWMQOA-UHFFFAOYSA-N

Compound name

1-chloroethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.07678 Da
Monoisotopic Mass: 2.0
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]+	238.08406	151.1
[M+Na]+	260.06600	158.4
[M+NH4]+	255.11060	156.3
[M+K]+	276.03994	156.0
[M-H]-	236.06950	147.9
[M+Na-2H]-	258.05145	152.0
[M]+	237.07623	151.0
[M]-	237.07733	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe