CID 633528

1753-61-3

Structural Information

Molecular Formula
C27H46O
SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5C(C4)O5)C)C
InChI
InChI=1S/C27H46O/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24-25(28-24)16-27(19,5)23(20)13-14-26(21,22)4/h17-25H,6-16H2,1-5H3
InChIKey
AKTPAJMBVLOPJG-UHFFFAOYSA-N
Compound name
2,16-dimethyl-15-(6-methylheptan-2-yl)-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

386.35486 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.36214 200.7
[M+Na]+ 409.34408 203.9
[M-H]- 385.34758 205.0
[M+NH4]+ 404.38868 215.3
[M+K]+ 425.31802 199.6
[M+H-H2O]+ 369.35212 194.0
[M+HCOO]- 431.35306 202.8
[M+CH3COO]- 445.36871 206.6
[M+Na-2H]- 407.32953 196.4
[M]+ 386.35431 198.3
[M]- 386.35541 198.3
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.