CID 50988438

3-(piperazin-1-ylmethyl)furan-2-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C10H14N2O3
SMILES
C1CN(CCN1)CC2=C(OC=C2)C(=O)O
InChI
InChI=1S/C10H14N2O3/c13-10(14)9-8(1-6-15-9)7-12-4-2-11-3-5-12/h1,6,11H,2-5,7H2,(H,13,14)
InChIKey
VQRGVODYLTXSOJ-UHFFFAOYSA-N
Compound name
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 146.3
[M+Na]+ 233.08967 151.4
[M-H]- 209.09317 147.6
[M+NH4]+ 228.13427 160.8
[M+K]+ 249.06361 149.7
[M+H-H2O]+ 193.09771 138.7
[M+HCOO]- 255.09865 161.7
[M+CH3COO]- 269.11430 178.7
[M+Na-2H]- 231.07512 148.8
[M]+ 210.09990 141.7
[M]- 210.10100 141.7
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.