CID 58775

101710-77-4

Structural Information

Molecular Formula
C21H31NO3
SMILES
CCCCN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H31NO3/c1-2-3-14-22-15-13-19(16-22)25-20(23)21(24,18-11-7-8-12-18)17-9-5-4-6-10-17/h4-6,9-10,18-19,24H,2-3,7-8,11-16H2,1H3
InChIKey
HGGDYHWUGPEIKR-UHFFFAOYSA-N
Compound name
(1-butylpyrrolidin-3-yl) 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

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.23768 186.6
[M+Na]+ 368.21962 193.7
[M+NH4]+ 363.26422 192.9
[M+K]+ 384.19356 191.9
[M-H]- 344.22312 188.7
[M+Na-2H]- 366.20507 190.3
[M]+ 345.22985 187.8
[M]- 345.23095 187.8
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

No patent data available for this compound.