CID 11018

Poldine

Structural Information

Molecular Formula
C21H26NO3
SMILES
C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C21H26NO3/c1-22(2)15-9-14-19(22)16-25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
InChIKey
CQRKVVAGMJJJSR-UHFFFAOYSA-N
Compound name
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

935
Patents

340.19125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19853 184.7
[M+Na]+ 363.18047 188.6
[M-H]- 339.18397 191.3
[M+NH4]+ 358.22507 198.9
[M+K]+ 379.15441 178.8
[M+H-H2O]+ 323.18851 179.0
[M+HCOO]- 385.18945 200.8
[M+CH3COO]- 399.20510 199.0
[M+Na-2H]- 361.16592 189.0
[M]+ 340.19070 181.4
[M]- 340.19180 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe