CID 225077

1,3-bis(trityloxy)-2-propanol

Structural Information

Molecular Formula
C41H36O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O
InChI
InChI=1S/C41H36O3/c42-39(31-43-40(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)32-44-41(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39,42H,31-32H2
InChIKey
RTMHETZUWPSOMK-UHFFFAOYSA-N
Compound name
1,3-ditrityloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

576.2664 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.27368 242.2
[M+Na]+ 599.25562 240.4
[M-H]- 575.25912 254.9
[M+NH4]+ 594.30022 240.9
[M+K]+ 615.22956 233.0
[M+H-H2O]+ 559.26366 226.9
[M+HCOO]- 621.26460 255.0
[M+CH3COO]- 635.28025 245.0
[M+Na-2H]- 597.24107 245.1
[M]+ 576.26585 238.0
[M]- 576.26695 238.0
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