CID 6484238

876717-56-5

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CN1CCN(CC1)C2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)10-8-9(11(15)16)2-3-12-10/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKey
OXVRAMAPGBJUBN-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

221.11642 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.7
[M+Na]+ 244.10564 162.7
[M+NH4]+ 239.15024 157.2
[M+K]+ 260.07958 157.5
[M-H]- 220.10914 151.9
[M+Na-2H]- 242.09109 156.6
[M]+ 221.11587 152.4
[M]- 221.11697 152.4
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

patents stripe