CID 54201969

1,3-dihydroxypropane-2-sulfonamide

Structural Information

Molecular Formula
C3H9NO4S
SMILES
C(C(CO)S(=O)(=O)N)O
InChI
InChI=1S/C3H9NO4S/c4-9(7,8)3(1-5)2-6/h3,5-6H,1-2H2,(H2,4,7,8)
InChIKey
PPWRTTPXGDSGMR-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.02522 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.03250 128.5
[M+Na]+ 178.01444 135.3
[M-H]- 154.01794 125.8
[M+NH4]+ 173.05904 147.7
[M+K]+ 193.98838 133.6
[M+H-H2O]+ 138.02248 124.0
[M+HCOO]- 200.02342 143.6
[M+CH3COO]- 214.03907 168.6
[M+Na-2H]- 175.99989 131.5
[M]+ 155.02467 128.1
[M]- 155.02577 128.1
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

patents stripe