CID 24845673

3-pyrrolinemethanol, 1-methyl-, benzilate (ester), hydrochloride

Structural Information

Molecular Formula
C20H21NO3
SMILES
CN1CCC(=C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H21NO3/c1-21-13-12-16(14-21)15-24-19(22)20(23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,23H,12-13,15H2,1H3
InChIKey
BIQDKGLJNUPAPA-UHFFFAOYSA-N
Compound name
(1-methyl-2,3-dihydropyrrol-4-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.159406 177.3
[M+Na]+ 346.141348 182.0
[M-H]- 322.144854 184.0
[M+NH4]+ 341.185953 190.3
[M+K]+ 362.115288 177.7
[M+H-H2O]+ 306.149390 168.5
[M+HCOO]- 368.150331 195.7
[M+CH3COO]- 382.165981 203.2
[M+Na-2H]- 344.126796 179.5
[M]+ 323.15158142 176.5
[M]- 323.15267858 176.5
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.