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]+ 255.097546 154.6
[M+Na]+ 277.079488 162.2
[M-H]- 253.082994 156.9
[M+NH4]+ 272.124093 166.1
[M+K]+ 293.053428 160.7
[M+H-H2O]+ 237.087530 146.5
[M+HCOO]- 299.088471 169.3
[M+CH3COO]- 313.104121 189.6
[M+Na-2H]- 275.064936 157.1
[M]+ 254.08972142 153.1
[M]- 254.09081858 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.