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

0
Patents

205.02312 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.030396 142.8
[M+Na]+ 228.012338 152.1
[M-H]- 204.015844 146.3
[M+NH4]+ 223.056943 163.9
[M+K]+ 243.986278 147.9
[M+H-H2O]+ 188.020380 137.7
[M+HCOO]- 250.021321 157.1
[M+CH3COO]- 264.036971 182.1
[M+Na-2H]- 225.997786 143.5
[M]+ 205.02257142 145.3
[M]- 205.02366858 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.