CID 56842953

85443-43-2

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CCCC2C1CC3COCC3(C2)C)C
InChI
InChI=1S/C15H26O/c1-14(2)6-4-5-11-8-15(3)10-16-9-12(15)7-13(11)14/h11-13H,4-10H2,1-3H3
InChIKey
IQITUVRKSXAERU-UHFFFAOYSA-N
Compound name
5,5,9a-trimethyl-1,3,3a,4,4a,6,7,8,8a,9-decahydrobenzo[f][2]benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.