CID 103532002

1411950-56-5

Structural Information

Molecular Formula

C₅H₁₀ClNO₃S

SMILES

COC1CCN(C1)S(=O)(=O)Cl

InChI

InChI=1S/C5H10ClNO3S/c1-10-5-2-3-7(4-5)11(6,8)9/h5H,2-4H2,1H3

InChIKey

LVOOVYHOTSRSPV-UHFFFAOYSA-N

Compound name

3-methoxypyrrolidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 199.00699 Da
Monoisotopic Mass: 0.3
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]+	200.014266	138.8
[M+Na]+	221.996208	148.2
[M-H]-	197.999714	141.6
[M+NH4]+	217.040813	160.0
[M+K]+	237.970148	146.0
[M+H-H2O]+	182.004250	134.6
[M+HCOO]-	244.005191	150.8
[M+CH3COO]-	258.020841	176.3
[M+Na-2H]-	219.981656	141.0
[M]+	199.00644142	142.3
[M]-	199.00753858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe