CID 3070512

6-(n-methylpiperazino)comenic acid hydrochloride

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CN1CCN(CC1)C2=C(C(=O)C=C(O2)C(=O)O)O
InChI
InChI=1S/C11H14N2O5/c1-12-2-4-13(5-3-12)10-9(15)7(14)6-8(18-10)11(16)17/h6,15H,2-5H2,1H3,(H,16,17)
InChIKey
JMWYIOXFNFOVPY-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(4-methylpiperazin-1-yl)-4-oxopyran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 154.6
[M+Na]+ 277.07949 162.2
[M-H]- 253.08299 156.9
[M+NH4]+ 272.12409 166.1
[M+K]+ 293.05343 160.7
[M+H-H2O]+ 237.08753 146.5
[M+HCOO]- 299.08847 169.3
[M+CH3COO]- 313.10412 189.6
[M+Na-2H]- 275.06494 157.1
[M]+ 254.08972 153.1
[M]- 254.09082 153.1
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.