CID 3017552

3,3,7-trimethylindan-5-ol

Structural Information

Molecular Formula
C12H16O
SMILES
CC1=CC(=CC2=C1CCC2(C)C)O
InChI
InChI=1S/C12H16O/c1-8-6-9(13)7-11-10(8)4-5-12(11,2)3/h6-7,13H,4-5H2,1-3H3
InChIKey
QCHYMSYGCBJIQS-UHFFFAOYSA-N
Compound name
3,3,7-trimethyl-1,2-dihydroinden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe