CID 196435

65588-69-4

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CCCC2(C1CCC3C2CCO3)C)C
InChI
InChI=1S/C15H26O/c1-14(2)8-4-9-15(3)11-7-10-16-12(11)5-6-13(14)15/h11-13H,4-10H2,1-3H3
InChIKey
IPEPBOBQYDJNON-UHFFFAOYSA-N
Compound name
6,6,9a-trimethyl-1,2,3a,4,5,5a,7,8,9,9b-decahydrobenzo[e][1]benzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

50
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.1
[M+Na]+ 245.18758 159.6
[M-H]- 221.19108 158.8
[M+NH4]+ 240.23218 179.0
[M+K]+ 261.16152 157.3
[M+H-H2O]+ 205.19562 149.0
[M+HCOO]- 267.19656 167.5
[M+CH3COO]- 281.21221 165.6
[M+Na-2H]- 243.17303 157.9
[M]+ 222.19781 148.9
[M]- 222.19891 148.9
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.