CID 3628384

Butylsulfamic acid

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

CCCCNS(=O)(=O)O

InChI

InChI=1S/C4H11NO3S/c1-2-3-4-5-9(6,7)8/h5H,2-4H2,1H3,(H,6,7,8)

InChIKey

FECFIIXKXJBOSU-UHFFFAOYSA-N

Compound name

butylsulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 469
Patents: 153.04596 Da
Monoisotopic Mass: 0.1
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]+	154.053236	129.2
[M+Na]+	176.035178	136.5
[M-H]-	152.038684	128.4
[M+NH4]+	171.079783	149.7
[M+K]+	192.009118	134.9
[M+H-H2O]+	136.043220	124.5
[M+HCOO]-	198.044161	147.0
[M+CH3COO]-	212.059811	171.7
[M+Na-2H]-	174.020626	134.1
[M]+	153.04541142	131.3
[M]-	153.04650858	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe