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]+ 316.19072 177.1
[M+Na]+ 338.17266 180.0
[M-H]- 314.17616 183.4
[M+NH4]+ 333.21726 192.2
[M+K]+ 354.14660 176.8
[M+H-H2O]+ 298.18070 169.4
[M+HCOO]- 360.18164 193.8
[M+CH3COO]- 374.19729 201.0
[M+Na-2H]- 336.15811 175.4
[M]+ 315.18289 174.1
[M]- 315.18399 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.