CID 59612

102585-55-7

Structural Information

Molecular Formula
C18H27NO3
SMILES
CN(C)CCCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
InChI
InChI=1S/C18H27NO3/c1-19(2)13-8-14-22-17(20)16(15-9-4-3-5-10-15)18(21)11-6-7-12-18/h3-5,9-10,16,21H,6-8,11-14H2,1-2H3
InChIKey
CVMSTKIDXNNGMP-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 176.8
[M+Na]+ 328.188318 178.8
[M-H]- 304.191824 182.1
[M+NH4]+ 323.232923 194.2
[M+K]+ 344.162258 177.3
[M+H-H2O]+ 288.196360 169.6
[M+HCOO]- 350.197301 196.5
[M+CH3COO]- 364.212951 206.1
[M+Na-2H]- 326.173766 176.2
[M]+ 305.19855142 176.3
[M]- 305.19964858 176.3
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.