CID 3063720

101564-13-0

Structural Information

Molecular Formula
C21H31NO3
SMILES
CN1CCC(CC1)COC(=O)C(C2=CC=CC=C2)C3(CCCCC3)O
InChI
InChI=1S/C21H31NO3/c1-22-14-10-17(11-15-22)16-25-20(23)19(18-8-4-2-5-9-18)21(24)12-6-3-7-13-21/h2,4-5,8-9,17,19,24H,3,6-7,10-16H2,1H3
InChIKey
BDEINROOCIBWNG-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl)methyl 2-(1-hydroxycyclohexyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 187.3
[M+Na]+ 368.21962 186.9
[M-H]- 344.22312 191.5
[M+NH4]+ 363.26422 198.9
[M+K]+ 384.19356 183.6
[M+H-H2O]+ 328.22766 177.5
[M+HCOO]- 390.22860 197.8
[M+CH3COO]- 404.24425 208.3
[M+Na-2H]- 366.20507 185.6
[M]+ 345.22985 179.0
[M]- 345.23095 179.0
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.