CID 6484238

2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid

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]+ 222.123696 150.9
[M+Na]+ 244.105638 157.1
[M-H]- 220.109144 151.6
[M+NH4]+ 239.150243 164.0
[M+K]+ 260.079578 154.0
[M+H-H2O]+ 204.113680 141.8
[M+HCOO]- 266.114621 166.0
[M+CH3COO]- 280.130271 186.1
[M+Na-2H]- 242.091086 154.4
[M]+ 221.11587142 146.6
[M]- 221.11696858 146.6
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