CID 6454324

6-isononyl-1,1,3,3-tetramethylindan-5-ol

Structural Information

Molecular Formula
C22H36O
SMILES
CC(C)CCCCCCC1=CC2=C(C=C1O)C(CC2(C)C)(C)C
InChI
InChI=1S/C22H36O/c1-16(2)11-9-7-8-10-12-17-13-18-19(14-20(17)23)22(5,6)15-21(18,3)4/h13-14,16,23H,7-12,15H2,1-6H3
InChIKey
VWIHTAGQRGHQPR-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-6-(7-methyloctyl)-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

316.2766 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.28388 180.4
[M+Na]+ 339.26582 187.5
[M-H]- 315.26932 183.2
[M+NH4]+ 334.31042 202.2
[M+K]+ 355.23976 182.4
[M+H-H2O]+ 299.27386 175.9
[M+HCOO]- 361.27480 197.4
[M+CH3COO]- 375.29045 212.1
[M+Na-2H]- 337.25127 179.6
[M]+ 316.27605 184.1
[M]- 316.27715 184.1
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