CID 151399

Cyclopentyl sulfamate

Structural Information

Molecular Formula

C₅H₁₁NO₃S

SMILES

C1CCC(C1)OS(=O)(=O)N

InChI

InChI=1S/C5H11NO3S/c6-10(7,8)9-5-3-1-2-4-5/h5H,1-4H2,(H2,6,7,8)

InChIKey

QWODOYQWTQYIQP-UHFFFAOYSA-N

Compound name

cyclopentyl sulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 165.04596 Da
Monoisotopic Mass: 0.2
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]+	166.053236	132.8
[M+Na]+	188.035178	139.8
[M-H]-	164.038684	135.8
[M+NH4]+	183.079783	154.8
[M+K]+	204.009118	138.7
[M+H-H2O]+	148.043220	127.9
[M+HCOO]-	210.044161	150.9
[M+CH3COO]-	224.059811	172.8
[M+Na-2H]-	186.020626	135.7
[M]+	165.04541142	132.0
[M]-	165.04650858	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe