CID 36812

Methyloctylpyran

Structural Information

Molecular Formula
C25H38O2
SMILES
CCCCCCCC(C)C1=CC(=C2C3=C(CCC(C3)C)C(OC2=C1)(C)C)O
InChI
InChI=1S/C25H38O2/c1-6-7-8-9-10-11-18(3)19-15-22(26)24-20-14-17(2)12-13-21(20)25(4,5)27-23(24)16-19/h15-18,26H,6-14H2,1-5H3
InChIKey
NBBNVTWUGVPAOI-UHFFFAOYSA-N
Compound name
6,6,9-trimethyl-3-nonan-2-yl-7,8,9,10-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

370.28717 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.29445 196.3
[M+Na]+ 393.27639 208.7
[M+NH4]+ 388.32099 206.1
[M+K]+ 409.25033 198.0
[M-H]- 369.27989 200.9
[M+Na-2H]- 391.26184 199.2
[M]+ 370.28662 199.7
[M]- 370.28772 199.7
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

patents stripe