CID 5987

Sulfamic acid

Structural Information

Molecular Formula

SMILES

NS(=O)(=O)O

InChI

InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)

InChIKey

IIACRCGMVDHOTQ-UHFFFAOYSA-N

Compound name

sulfamic acid

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 401
References: 119482
Patents: 96.98337 Da
Monoisotopic Mass: -1.6
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]+	97.990646	111.8
[M+Na]+	119.972588	120.8
[M-H]-	95.976094	111.1
[M+NH4]+	115.017193	134.2
[M+K]+	135.946528	119.8
[M+H-H2O]+	79.980630	107.9
[M+HCOO]-	141.981571	130.2
[M+CH3COO]-	155.997221	158.9
[M+Na-2H]-	117.958036	117.6
[M]+	96.98282142	111.3
[M]-	96.98391858	111.3

Literature stripe

literature stripe

Patent stripe

patents stripe