CID 58781

101710-80-9

Structural Information

Molecular Formula
C21H31NO3
SMILES
CC1(CCCN1CCOC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C21H31NO3/c1-20(2)13-8-14-22(20)15-16-25-19(23)21(24,18-11-6-7-12-18)17-9-4-3-5-10-17/h3-5,9-10,18,24H,6-8,11-16H2,1-2H3
InChIKey
OZMLXLPGCQFBKZ-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylpyrrolidin-1-yl)ethyl 2-cyclopentyl-2-hydroxy-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 187.2
[M+Na]+ 368.21962 189.3
[M-H]- 344.22312 193.0
[M+NH4]+ 363.26422 203.1
[M+K]+ 384.19356 186.0
[M+H-H2O]+ 328.22766 179.9
[M+HCOO]- 390.22860 201.9
[M+CH3COO]- 404.24425 206.8
[M+Na-2H]- 366.20507 184.9
[M]+ 345.22985 183.8
[M]- 345.23095 183.8
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

patents stripe