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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03040 137.1
[M+Na]+ 240.01234 147.3
[M-H]- 216.01584 144.1
[M+NH4]+ 235.05694 152.7
[M+K]+ 255.98628 142.2
[M+H-H2O]+ 200.02038 131.6
[M+HCOO]- 262.02132 151.8
[M+CH3COO]- 276.03697 186.8
[M+Na-2H]- 237.99779 138.8
[M]+ 217.02257 141.1
[M]- 217.02367 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.