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]+ 306.20638 176.8
[M+Na]+ 328.18832 178.8
[M-H]- 304.19182 182.1
[M+NH4]+ 323.23292 194.2
[M+K]+ 344.16226 177.3
[M+H-H2O]+ 288.19636 169.6
[M+HCOO]- 350.19730 196.5
[M+CH3COO]- 364.21295 206.1
[M+Na-2H]- 326.17377 176.2
[M]+ 305.19855 176.3
[M]- 305.19965 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.