CID 3017549

3,3,6-trimethylindan-5-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC2=C(C=C1O)C(CC2)(C)C
InChI
InChI=1S/C12H16O/c1-8-6-9-4-5-12(2,3)10(9)7-11(8)13/h6-7,13H,4-5H2,1-3H3
InChIKey
WAOVQCLZCDCKAM-UHFFFAOYSA-N
Compound name
3,3,6-trimethyl-1,2-dihydroinden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

176.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 137.6
[M+Na]+ 199.109338 147.5
[M-H]- 175.112844 141.7
[M+NH4]+ 194.153943 162.9
[M+K]+ 215.083278 144.1
[M+H-H2O]+ 159.117380 133.7
[M+HCOO]- 221.118321 159.2
[M+CH3COO]- 235.133971 180.5
[M+Na-2H]- 197.094786 142.7
[M]+ 176.11957142 137.7
[M]- 176.12066858 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe