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
4
Annotation Hits

14
References

45
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.1
[M+Na]+ 245.187578 159.6
[M-H]- 221.191084 158.8
[M+NH4]+ 240.232183 179.0
[M+K]+ 261.161518 157.3
[M+H-H2O]+ 205.195620 149.0
[M+HCOO]- 267.196561 167.5
[M+CH3COO]- 281.212211 165.6
[M+Na-2H]- 243.173026 157.9
[M]+ 222.19781142 148.9
[M]- 222.19890858 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

literature stripe

Patent stripe

patents stripe