CID 3044552

4-((1-propyl-2-piperidyl)methyl)pyrocatechol hydrochloride

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCN1CCCCC1CC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C15H23NO2/c1-2-8-16-9-4-3-5-13(16)10-12-6-7-14(17)15(18)11-12/h6-7,11,13,17-18H,2-5,8-10H2,1H3
InChIKey
VKHGWIFZBVJIRR-UHFFFAOYSA-N
Compound name
4-[(1-propylpiperidin-2-yl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.6
[M+Na]+ 272.162098 165.5
[M-H]- 248.165604 162.5
[M+NH4]+ 267.206703 175.2
[M+K]+ 288.136038 161.2
[M+H-H2O]+ 232.170140 153.0
[M+HCOO]- 294.171081 176.4
[M+CH3COO]- 308.186731 191.1
[M+Na-2H]- 270.147546 162.1
[M]+ 249.17233142 156.6
[M]- 249.17342858 156.6
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

No patent data available for this compound.