CID 105354

66259-60-7

Structural Information

Molecular Formula
C39H60O4
SMILES
CCCCCCCCOC1=CC2=C(C=C1C)OC3(CC2(C)C)CC(C4=C(O3)C=C(C(=C4)OCCCCCCCC)C)(C)C
InChI
InChI=1S/C39H60O4/c1-9-11-13-15-17-19-21-40-33-25-31-35(23-29(33)3)42-39(27-37(31,5)6)28-38(7,8)32-26-34(30(4)24-36(32)43-39)41-22-20-18-16-14-12-10-2/h23-26H,9-22,27-28H2,1-8H3
InChIKey
CWSMKPDLBRQGLT-UHFFFAOYSA-N
Compound name
4,4,4',4',7,7'-hexamethyl-6,6'-dioctoxy-2,2'-spirobi[3H-chromene]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

592.44916 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.45644 255.6
[M+Na]+ 615.43838 259.5
[M-H]- 591.44188 261.2
[M+NH4]+ 610.48298 264.9
[M+K]+ 631.41232 255.8
[M+H-H2O]+ 575.44642 243.7
[M+HCOO]- 637.44736 262.9
[M+CH3COO]- 651.46301 267.2
[M+Na-2H]- 613.42383 253.0
[M]+ 592.44861 265.4
[M]- 592.44971 265.4
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