CID 217030

Lt 131

Structural Information

Molecular Formula
C10H15N3O3S
SMILES
CN1CCN(CC1)C2=NC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C10H15N3O3S/c1-12-4-6-13(7-5-12)10-3-2-9(8-11-10)17(14,15)16/h2-3,8H,4-7H2,1H3,(H,14,15,16)
InChIKey
BLODWCNGEILCHR-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)pyridine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.0834 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09068 156.0
[M+Na]+ 280.07262 167.2
[M+NH4]+ 275.11722 162.0
[M+K]+ 296.04656 161.1
[M-H]- 256.07612 156.3
[M+Na-2H]- 278.05807 161.2
[M]+ 257.08285 157.9
[M]- 257.08395 157.9
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