CID 19095616

4-(2,3-dimethylphenyl)piperidin-4-ol hydrochloride

Structural Information

Molecular Formula
C13H19NO
SMILES
CC1=C(C(=CC=C1)C2(CCNCC2)O)C
InChI
InChI=1S/C13H19NO/c1-10-4-3-5-12(11(10)2)13(15)6-8-14-9-7-13/h3-5,14-15H,6-9H2,1-2H3
InChIKey
YHITYVGXWVVEJE-UHFFFAOYSA-N
Compound name
4-(2,3-dimethylphenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

205.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.6
[M+Na]+ 228.135888 154.6
[M-H]- 204.139394 150.9
[M+NH4]+ 223.180493 166.9
[M+K]+ 244.109828 150.5
[M+H-H2O]+ 188.143930 142.0
[M+HCOO]- 250.144871 164.9
[M+CH3COO]- 264.160521 181.3
[M+Na-2H]- 226.121336 152.9
[M]+ 205.14612142 142.4
[M]- 205.14721858 142.4
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