CID 58882

101756-58-5

Structural Information

Molecular Formula
C19H23NO3
SMILES
CN1CC=CC1COC(=O)C(C2=CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H23NO3/c1-20-13-7-12-17(20)14-23-18(21)19(22,16-10-5-6-11-16)15-8-3-2-4-9-15/h2-4,7-10,12,17,22H,5-6,11,13-14H2,1H3
InChIKey
RWTLYBHKSFYKKK-UHFFFAOYSA-N
Compound name
(1-methyl-2,5-dihydropyrrol-2-yl)methyl 2-(cyclopenten-1-yl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 175.8
[M+Na]+ 336.15702 179.7
[M-H]- 312.16052 182.5
[M+NH4]+ 331.20162 191.1
[M+K]+ 352.13096 176.3
[M+H-H2O]+ 296.16506 168.1
[M+HCOO]- 358.16600 193.9
[M+CH3COO]- 372.18165 200.6
[M+Na-2H]- 334.14247 175.1
[M]+ 313.16725 174.2
[M]- 313.16835 174.2
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.