CID 2905

Cyclopentolate

Structural Information

Molecular Formula
C17H25NO3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
InChI
InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
InChIKey
SKYSRIRYMSLOIN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

721
References

9488
Patents

291.18344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 171.6
[M+Na]+ 314.17266 179.4
[M+NH4]+ 309.21726 179.9
[M+K]+ 330.14660 174.3
[M-H]- 290.17616 174.0
[M+Na-2H]- 312.15811 177.6
[M]+ 291.18289 173.2
[M]- 291.18399 173.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe