CID 3022776

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

Structural Information

Molecular Formula
C16H24O
SMILES
CC(C)C1=CC2=C(C=C1O)C(CC2(C)C)(C)C
InChI
InChI=1S/C16H24O/c1-10(2)11-7-12-13(8-14(11)17)16(5,6)9-15(12,3)4/h7-8,10,17H,9H2,1-6H3
InChIKey
BNMAIYLEWZZFLO-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-6-propan-2-yl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 152.8
[M+Na]+ 255.171928 162.6
[M-H]- 231.175434 157.0
[M+NH4]+ 250.216533 178.1
[M+K]+ 271.145868 158.9
[M+H-H2O]+ 215.179970 149.5
[M+HCOO]- 277.180911 171.9
[M+CH3COO]- 291.196561 194.3
[M+Na-2H]- 253.157376 155.3
[M]+ 232.18216142 154.5
[M]- 232.18325858 154.5
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

No patent data available for this compound.