CID 3018446

73526-35-9

Structural Information

Molecular Formula
C21H34O
SMILES
CC1(CC(C2=CC(=C(C=C21)C(C)(C)CC(C)(C)C)O)(C)C)C
InChI
InChI=1S/C21H34O/c1-18(2,3)12-19(4,5)16-10-14-15(11-17(16)22)21(8,9)13-20(14,6)7/h10-11,22H,12-13H2,1-9H3
InChIKey
UCPLXKGSKHNLFC-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-6-(2,4,4-trimethylpentan-2-yl)-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.26096 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.26824 174.0
[M+Na]+ 325.25018 182.7
[M-H]- 301.25368 177.7
[M+NH4]+ 320.29478 196.8
[M+K]+ 341.22412 178.7
[M+H-H2O]+ 285.25822 171.4
[M+HCOO]- 347.25916 189.3
[M+CH3COO]- 361.27481 208.7
[M+Na-2H]- 323.23563 177.6
[M]+ 302.26041 177.2
[M]- 302.26151 177.2
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

No patent data available for this compound.