CID 13186895

Schembl3959131

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC1=C(C(=CC=C1)OC2CCNCC2O)C
InChI
InChI=1S/C13H19NO2/c1-9-4-3-5-12(10(9)2)16-13-6-7-14-8-11(13)15/h3-5,11,13-15H,6-8H2,1-2H3
InChIKey
ZHFIAFNZGWCLHU-UHFFFAOYSA-N
Compound name
4-(2,3-dimethylphenoxy)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

221.14159 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.6
[M+Na]+ 244.13081 157.5
[M-H]- 220.13431 153.9
[M+NH4]+ 239.17541 167.4
[M+K]+ 260.10475 153.6
[M+H-H2O]+ 204.13885 144.4
[M+HCOO]- 266.13979 168.1
[M+CH3COO]- 280.15544 185.1
[M+Na-2H]- 242.11626 154.2
[M]+ 221.14104 146.9
[M]- 221.14214 146.9
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