CID 70807

Mops

Structural Information

Molecular Formula
C7H15NO4S
SMILES
C1COCCN1CCCS(=O)(=O)O
InChI
InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)
InChIKey
DVLFYONBTKHTER-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

323
References

59418
Patents

209.07217 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07945 143.0
[M+Na]+ 232.06139 148.5
[M-H]- 208.06489 143.8
[M+NH4]+ 227.10599 158.6
[M+K]+ 248.03533 147.9
[M+H-H2O]+ 192.06943 137.1
[M+HCOO]- 254.07037 154.8
[M+CH3COO]- 268.08602 177.2
[M+Na-2H]- 230.04684 147.4
[M]+ 209.07162 143.1
[M]- 209.07272 143.1
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

No patent data available for this compound.