CID 131751039

Cycloeucalanone

Structural Information

Molecular Formula
C30H50O
SMILES
CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1=O)C)C(C)CCC(C)C(C)C)C
InChI
InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19-24,26H,8-18H2,1-7H3
InChIKey
MFDHFDRGFNWNAG-UHFFFAOYSA-N
Compound name
15-(5,6-dimethylheptan-2-yl)-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

426.38617 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.39345 207.9
[M+Na]+ 449.37539 210.7
[M-H]- 425.37889 212.6
[M+NH4]+ 444.41999 225.0
[M+K]+ 465.34933 206.9
[M+H-H2O]+ 409.38343 202.2
[M+HCOO]- 471.38437 209.2
[M+CH3COO]- 485.40002 236.9
[M+Na-2H]- 447.36084 202.1
[M]+ 426.38562 205.8
[M]- 426.38672 205.8
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