CID 59332

102395-68-6

Structural Information

Molecular Formula
C17H25NO4
SMILES
CC1=CC=CC=C1OCCCOC(=O)C2CCN(C(C2)O)C
InChI
InChI=1S/C17H25NO4/c1-13-6-3-4-7-15(13)21-10-5-11-22-17(20)14-8-9-18(2)16(19)12-14/h3-4,6-7,14,16,19H,5,8-12H2,1-2H3
InChIKey
ZCPIZNSMBMAXIC-UHFFFAOYSA-N
Compound name
3-(2-methylphenoxy)propyl 2-hydroxy-1-methylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 173.8
[M+Na]+ 330.167558 178.0
[M-H]- 306.171064 176.7
[M+NH4]+ 325.212163 186.4
[M+K]+ 346.141498 175.3
[M+H-H2O]+ 290.175600 165.2
[M+HCOO]- 352.176541 189.9
[M+CH3COO]- 366.192191 203.3
[M+Na-2H]- 328.153006 173.6
[M]+ 307.17779142 173.8
[M]- 307.17888858 173.8
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.