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

7
Annotation Hits: 734
References: 9946
Patents: 291.18344 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.19072	172.2
[M+Na]+	314.17266	174.7
[M-H]-	290.17616	177.7
[M+NH4]+	309.21726	190.3
[M+K]+	330.14660	173.5
[M+H-H2O]+	274.18070	165.2
[M+HCOO]-	336.18164	192.3
[M+CH3COO]-	350.19729	203.2
[M+Na-2H]-	312.15811	172.2
[M]+	291.18289	171.4
[M]-	291.18399	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe