CID 3046371

62033-46-9

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN1CCCC(C1)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H17NO2/c1-13-6-2-3-10(8-13)9-4-5-11(14)12(15)7-9/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKey
UWXIEGJSOHTCPF-UHFFFAOYSA-N
Compound name
4-(1-methylpiperidin-3-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.1
[M+Na]+ 230.11515 153.4
[M-H]- 206.11865 149.6
[M+NH4]+ 225.15975 163.5
[M+K]+ 246.08909 149.8
[M+H-H2O]+ 190.12319 140.1
[M+HCOO]- 252.12413 163.9
[M+CH3COO]- 266.13978 182.1
[M+Na-2H]- 228.10060 150.2
[M]+ 207.12538 142.1
[M]- 207.12648 142.1
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

patents stripe