CID 141991352

En300-1612238

Structural Information

Molecular Formula

C₇H₁₄ClNO₄S

SMILES

CC(C)(C)OC(=O)CN(C)S(=O)(=O)Cl

InChI

InChI=1S/C7H14ClNO4S/c1-7(2,3)13-6(10)5-9(4)14(8,11)12/h5H2,1-4H3

InChIKey

FMJXGROYAAUXMW-UHFFFAOYSA-N

Compound name

tert-butyl 2-[chlorosulfonyl(methyl)amino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.0332 Da
Monoisotopic Mass: 1.2
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]+	244.04048	147.9
[M+Na]+	266.02242	155.6
[M-H]-	242.02592	150.3
[M+NH4]+	261.06702	167.2
[M+K]+	281.99636	154.6
[M+H-H2O]+	226.03046	144.2
[M+HCOO]-	288.03140	160.5
[M+CH3COO]-	302.04705	191.6
[M+Na-2H]-	264.00787	151.5
[M]+	243.03265	155.7
[M]-	243.03375	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe