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

8
Patents

236.11609 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 154.1
[M+Na]+ 259.10531 160.3
[M-H]- 235.10881 155.2
[M+NH4]+ 254.14991 167.7
[M+K]+ 275.07925 157.0
[M+H-H2O]+ 219.11335 146.1
[M+HCOO]- 281.11429 168.9
[M+CH3COO]- 295.12994 186.6
[M+Na-2H]- 257.09076 156.0
[M]+ 236.11554 149.6
[M]- 236.11664 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