CID 54051008

Dtxsid60988294

Structural Information

Molecular Formula
C33H50O
SMILES
CC1=CCCC(=CCC=C(C(CC1)(C)C(=O)C2(CCC(=CCCC(=CCC=C2C)C)C)C)C)C
InChI
InChI=1S/C33H50O/c1-25-13-9-15-27(3)21-23-32(7,29(5)19-11-17-25)31(34)33(8)24-22-28(4)16-10-14-26(2)18-12-20-30(33)6/h15-20H,9-14,21-24H2,1-8H3
InChIKey
LSVYFFDZLQBSCB-UHFFFAOYSA-N
Compound name
bis(1,2,6,10-tetramethylcyclododeca-2,5,9-trien-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

989
Patents

462.38617 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39345 208.7
[M+Na]+ 485.37539 212.6
[M-H]- 461.37889 210.5
[M+NH4]+ 480.41999 216.3
[M+K]+ 501.34933 208.9
[M+H-H2O]+ 445.38343 207.8
[M+HCOO]- 507.38437 220.7
[M+CH3COO]- 521.40002 231.0
[M+Na-2H]- 483.36084 201.5
[M]+ 462.38562 201.0
[M]- 462.38672 201.0
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

patents stripe