CID 58791

101710-87-6

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN1CC=C(C1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H25NO3/c1-20-12-11-15(13-20)14-23-18(21)19(22,17-9-5-6-10-17)16-7-3-2-4-8-16/h2-4,7-8,11,17,22H,5-6,9-10,12-14H2,1H3
InChIKey
KDTQWNDJTSEFMU-UHFFFAOYSA-N
Compound name
(1-methyl-2,5-dihydropyrrol-3-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.190716 177.1
[M+Na]+ 338.172658 180.0
[M-H]- 314.176164 183.4
[M+NH4]+ 333.217263 192.2
[M+K]+ 354.146598 176.8
[M+H-H2O]+ 298.180700 169.4
[M+HCOO]- 360.181641 193.8
[M+CH3COO]- 374.197291 201.0
[M+Na-2H]- 336.158106 175.4
[M]+ 315.18289142 174.1
[M]- 315.18398858 174.1
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.