CID 635699

89929-65-7

Structural Information

Molecular Formula
C33H48O4
SMILES
CCCOC1=C(C=C2C(=C1)C(CC23CC(C4=CC(=C(C=C34)OCCC)OCCC)(C)C)(C)C)OCCC
InChI
InChI=1S/C33H48O4/c1-9-13-34-27-17-23-25(19-29(27)36-15-11-3)33(21-31(23,5)6)22-32(7,8)24-18-28(35-14-10-2)30(20-26(24)33)37-16-12-4/h17-20H,9-16,21-22H2,1-8H3
InChIKey
XFCRUFLAYQTRRX-UHFFFAOYSA-N
Compound name
1,1,1',1'-tetramethyl-5,5',6,6'-tetrapropoxy-3,3'-spirobi[2H-indene]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

551
Patents

508.35526 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.36254 229.6
[M+Na]+ 531.34448 237.7
[M-H]- 507.34798 236.6
[M+NH4]+ 526.38908 249.2
[M+K]+ 547.31842 231.5
[M+H-H2O]+ 491.35252 222.9
[M+HCOO]- 553.35346 245.7
[M+CH3COO]- 567.36911 248.6
[M+Na-2H]- 529.32993 226.4
[M]+ 508.35471 241.2
[M]- 508.35581 241.2
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