CID 91647542

[5-(ethanesulfonyl)thiophen-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C7H11NO2S2
SMILES
CCS(=O)(=O)C1=CC=C(S1)CN
InChI
InChI=1S/C7H11NO2S2/c1-2-12(9,10)7-4-3-6(5-8)11-7/h3-4H,2,5,8H2,1H3
InChIKey
UPCPELJCHDYGCD-UHFFFAOYSA-N
Compound name
(5-ethylsulfonylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.02312 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03040 142.8
[M+Na]+ 228.01234 152.1
[M-H]- 204.01584 146.3
[M+NH4]+ 223.05694 163.9
[M+K]+ 243.98628 147.9
[M+H-H2O]+ 188.02038 137.7
[M+HCOO]- 250.02132 157.1
[M+CH3COO]- 264.03697 182.1
[M+Na-2H]- 225.99779 143.5
[M]+ 205.02257 145.3
[M]- 205.02367 145.3
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.