CID 3062451

Piperazine, 1-(3,4-dihydroxybenzoyl)-4-methyl-

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H16N2O3/c1-13-4-6-14(7-5-13)12(17)9-2-3-10(15)11(16)8-9/h2-3,8,15-16H,4-7H2,1H3
InChIKey
QNEQCFRCOKTYIZ-UHFFFAOYSA-N
Compound name
(3,4-dihydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

236.11609 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 154.1
[M+Na]+ 259.105308 160.3
[M-H]- 235.108814 155.2
[M+NH4]+ 254.149913 167.7
[M+K]+ 275.079248 157.0
[M+H-H2O]+ 219.113350 146.1
[M+HCOO]- 281.114291 168.9
[M+CH3COO]- 295.129941 186.6
[M+Na-2H]- 257.090756 156.0
[M]+ 236.11554142 149.6
[M]- 236.11663858 149.6
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