CID 147044

62033-50-5

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCN1CCCC(C1)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C14H21NO2/c1-2-7-15-8-3-4-12(10-15)11-5-6-13(16)14(17)9-11/h5-6,9,12,16-17H,2-4,7-8,10H2,1H3
InChIKey
JBPMHBLMULBWFU-UHFFFAOYSA-N
Compound name
4-(1-propylpiperidin-3-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

29
Patents

235.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.164506 156.1
[M+Na]+ 258.146448 161.5
[M-H]- 234.149954 158.2
[M+NH4]+ 253.191053 171.3
[M+K]+ 274.120388 157.4
[M+H-H2O]+ 218.154490 148.7
[M+HCOO]- 280.155431 172.3
[M+CH3COO]- 294.171081 188.1
[M+Na-2H]- 256.131896 158.1
[M]+ 235.15668142 151.8
[M]- 235.15777858 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe