CID 499699

Nsc699800

Structural Information

Molecular Formula
C9H17NO6S
SMILES
CS(=O)(=O)OC1CN2CC(C(C2C1CO)O)O
InChI
InChI=1S/C9H17NO6S/c1-17(14,15)16-7-3-10-2-6(12)9(13)8(10)5(7)4-11/h5-9,11-13H,2-4H2,1H3
InChIKey
ONYBEMFCKJMACS-UHFFFAOYSA-N
Compound name
[6,7-dihydroxy-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.07767 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08495 157.7
[M+Na]+ 290.06689 165.5
[M-H]- 266.07039 157.3
[M+NH4]+ 285.11149 176.3
[M+K]+ 306.04083 163.4
[M+H-H2O]+ 250.07493 154.9
[M+HCOO]- 312.07587 168.3
[M+CH3COO]- 326.09152 185.8
[M+Na-2H]- 288.05234 156.9
[M]+ 267.07712 159.7
[M]- 267.07822 159.7
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.