CID 18918528

2-(4-(pyridin-4-yl)piperazin-1-yl)acetic acid dihydrochloride

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CN(CCN1CC(=O)O)C2=CC=NC=C2
InChI
InChI=1S/C11H15N3O2/c15-11(16)9-13-5-7-14(8-6-13)10-1-3-12-4-2-10/h1-4H,5-9H2,(H,15,16)
InChIKey
SKQQZDXQBQHYEJ-UHFFFAOYSA-N
Compound name
2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

221.11642 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.6
[M+Na]+ 244.10564 155.8
[M-H]- 220.10914 150.9
[M+NH4]+ 239.15024 163.4
[M+K]+ 260.07958 152.7
[M+H-H2O]+ 204.11368 141.2
[M+HCOO]- 266.11462 165.7
[M+CH3COO]- 280.13027 185.0
[M+Na-2H]- 242.09109 154.9
[M]+ 221.11587 145.9
[M]- 221.11697 145.9
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