CID 101116

2-[(trityloxy)methyl]cyclohexanone

Structural Information

Molecular Formula
C26H26O2
SMILES
C1CCC(=O)C(C1)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H26O2/c27-25-19-11-10-12-21(25)20-28-26(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-9,13-18,21H,10-12,19-20H2
InChIKey
LCFZWZMGTCKNIO-UHFFFAOYSA-N
Compound name
2-(trityloxymethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.19327 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20055 191.6
[M+Na]+ 393.18249 193.7
[M-H]- 369.18599 202.0
[M+NH4]+ 388.22709 201.8
[M+K]+ 409.15643 187.7
[M+H-H2O]+ 353.19053 180.4
[M+HCOO]- 415.19147 208.8
[M+CH3COO]- 429.20712 199.8
[M+Na-2H]- 391.16794 194.7
[M]+ 370.19272 186.6
[M]- 370.19382 186.6
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.