CID 15114753

1451-20-3

Structural Information

Molecular Formula
C22H32O2
SMILES
CCCCCC1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)C)C(=C1)OC
InChI
InChI=1S/C22H32O2/c1-6-7-8-9-16-13-19(23-5)21-17-12-15(2)10-11-18(17)22(3,4)24-20(21)14-16/h10,13-14,17-18H,6-9,11-12H2,1-5H3/t17-,18-/m1/s1
InChIKey
GRLARWXSTOXAGR-QZTJIDSGSA-N
Compound name
(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.24023 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.24751 182.5
[M+Na]+ 351.22945 189.6
[M-H]- 327.23295 187.8
[M+NH4]+ 346.27405 200.1
[M+K]+ 367.20339 186.1
[M+H-H2O]+ 311.23749 174.9
[M+HCOO]- 373.23843 197.2
[M+CH3COO]- 387.25408 215.9
[M+Na-2H]- 349.21490 185.2
[M]+ 328.23968 185.6
[M]- 328.24078 185.6
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

No patent data available for this compound.