CID 139595012

Ns00000810

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CN1CCCC1C2=CC(=CN=C2)OS(=O)(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-12-4-2-3-10(12)8-5-9(7-11-6-8)16-17(13,14)15/h5-7,10H,2-4H2,1H3,(H,13,14,15)
InChIKey
GAARMTUCEIDIOT-UHFFFAOYSA-N
Compound name
[5-(1-methylpyrrolidin-2-yl)-3-pyridinyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.074676 155.6
[M+Na]+ 281.056618 164.0
[M-H]- 257.060124 158.9
[M+NH4]+ 276.101223 171.4
[M+K]+ 297.030558 161.3
[M+H-H2O]+ 241.064660 149.0
[M+HCOO]- 303.065601 169.8
[M+CH3COO]- 317.081251 186.6
[M+Na-2H]- 279.042066 157.4
[M]+ 258.06685142 157.4
[M]- 258.06794858 157.4
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.