CID 154577726

1-[2-(cyclopropanesulfonyl)thiophen-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₁NO₂S₂

SMILES

C1CC1S(=O)(=O)C2=C(C=CS2)CN

InChI

InChI=1S/C8H11NO2S2/c9-5-6-3-4-12-8(6)13(10,11)7-1-2-7/h3-4,7H,1-2,5,9H2

InChIKey

HMZCDWPXJPXNSK-UHFFFAOYSA-N

Compound name

(2-cyclopropylsulfonylthiophen-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.02312 Da
Monoisotopic Mass: 0.6
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]+	218.030396	137.1
[M+Na]+	240.012338	147.3
[M-H]-	216.015844	144.1
[M+NH4]+	235.056943	152.7
[M+K]+	255.986278	142.2
[M+H-H2O]+	200.020380	131.6
[M+HCOO]-	262.021321	151.8
[M+CH3COO]-	276.036971	186.8
[M+Na-2H]-	237.997786	138.8
[M]+	217.02257142	141.1
[M]-	217.02366858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.