CID 16227260

[5-(morpholine-4-sulfonyl)thiophen-2-yl]methanamine

Structural Information

Molecular Formula
C9H14N2O3S2
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(S2)CN
InChI
InChI=1S/C9H14N2O3S2/c10-7-8-1-2-9(15-8)16(12,13)11-3-5-14-6-4-11/h1-2H,3-7,10H2
InChIKey
BSEDTVGOTNKFAG-UHFFFAOYSA-N
Compound name
(5-morpholin-4-ylsulfonylthiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

262.0446 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05188 155.4
[M+Na]+ 285.03382 162.5
[M-H]- 261.03732 160.4
[M+NH4]+ 280.07842 171.3
[M+K]+ 301.00776 159.6
[M+H-H2O]+ 245.04186 149.5
[M+HCOO]- 307.04280 165.4
[M+CH3COO]- 321.05845 189.5
[M+Na-2H]- 283.01927 156.5
[M]+ 262.04405 154.7
[M]- 262.04515 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe