CID 244258

Methylsulfamic acid

Structural Information

Molecular Formula

SMILES

CNS(=O)(=O)O

InChI

InChI=1S/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)

InChIKey

MYMDOKBFMTVEGE-UHFFFAOYSA-N

Compound name

methylsulfamic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2233
Patents: 110.999016 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]+	112.006292	115.8
[M+Na]+	133.988234	124.4
[M-H]-	109.991740	115.6
[M+NH4]+	129.032839	138.0
[M+K]+	149.962174	123.6
[M+H-H2O]+	93.996276	111.8
[M+HCOO]-	155.997217	134.6
[M+CH3COO]-	170.012867	162.6
[M+Na-2H]-	131.973682	122.2
[M]+	110.99846742	116.8
[M]-	110.99956458	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe