CID 11776960

150109-48-1

Structural Information

Molecular Formula

C₁₀H₁₈ClNO₄

SMILES

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

InChI

InChI=1S/C10H18ClNO4/c1-9(2,3)16-8(14)12-10(4,5)7(13)15-6-11/h6H2,1-5H3,(H,12,14)

InChIKey

ZVIVWDWVAWCELW-UHFFFAOYSA-N

Compound name

chloromethyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 251.09244 Da
Monoisotopic Mass: 2.1
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]+	252.099716	154.5
[M+Na]+	274.081658	161.2
[M-H]-	250.085164	155.1
[M+NH4]+	269.126263	172.8
[M+K]+	290.055598	160.4
[M+H-H2O]+	234.089700	151.2
[M+HCOO]-	296.090641	170.1
[M+CH3COO]-	310.106291	193.7
[M+Na-2H]-	272.067106	159.0
[M]+	251.09189142	160.3
[M]-	251.09298858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe