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]+ 233.18999 152.8
[M+Na]+ 255.17193 162.6
[M-H]- 231.17543 157.0
[M+NH4]+ 250.21653 178.1
[M+K]+ 271.14587 158.9
[M+H-H2O]+ 215.17997 149.5
[M+HCOO]- 277.18091 171.9
[M+CH3COO]- 291.19656 194.3
[M+Na-2H]- 253.15738 155.3
[M]+ 232.18216 154.5
[M]- 232.18326 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.