CID 10486918

3-hydroxypropane-1-sulfonamide

Structural Information

Molecular Formula
C3H9NO3S
SMILES
C(CO)CS(=O)(=O)N
InChI
InChI=1S/C3H9NO3S/c4-8(6,7)3-1-2-5/h5H,1-3H2,(H2,4,6,7)
InChIKey
MTQKQHPGIPKOEJ-UHFFFAOYSA-N
Compound name
3-hydroxypropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

139.03032 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.03760 126.9
[M+Na]+ 162.01954 134.4
[M+NH4]+ 157.06414 133.4
[M+K]+ 177.99348 129.7
[M-H]- 138.02304 124.5
[M+Na-2H]- 160.00499 128.5
[M]+ 139.02977 127.3
[M]- 139.03087 127.3
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