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

34
Patents

370.28717 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.294446 196.9
[M+Na]+ 393.276388 201.8
[M-H]- 369.279894 200.1
[M+NH4]+ 388.320993 211.9
[M+K]+ 409.250328 197.4
[M+H-H2O]+ 353.284430 189.3
[M+HCOO]- 415.285371 207.8
[M+CH3COO]- 429.301021 223.3
[M+Na-2H]- 391.261836 196.3
[M]+ 370.28662142 198.5
[M]- 370.28771858 198.5
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