CID 24837516

Brn 5102166

Structural Information

Molecular Formula
C22H34O4
SMILES
CCOCCCC(C)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)O)O
InChI
InChI=1S/C22H34O4/c1-5-25-10-6-7-14(2)15-11-19(24)21-17-13-16(23)8-9-18(17)22(3,4)26-20(21)12-15/h11-12,14,16-18,23-24H,5-10,13H2,1-4H3
InChIKey
NHEJMAMIIXOJDW-UHFFFAOYSA-N
Compound name
3-(5-ethoxypentan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2457 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 190.7
[M+Na]+ 385.23492 195.3
[M-H]- 361.23842 192.7
[M+NH4]+ 380.27952 205.2
[M+K]+ 401.20886 192.3
[M+H-H2O]+ 345.24296 184.0
[M+HCOO]- 407.24390 200.1
[M+CH3COO]- 421.25955 216.9
[M+Na-2H]- 383.22037 190.9
[M]+ 362.24515 191.3
[M]- 362.24625 191.3
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.