CID 104571

1-ethyl-1,3,3-trimethylindan-5-ol

Structural Information

Molecular Formula
C14H20O
SMILES
CCC1(CC(C2=C1C=CC(=C2)O)(C)C)C
InChI
InChI=1S/C14H20O/c1-5-14(4)9-13(2,3)12-8-10(15)6-7-11(12)14/h6-8,15H,5,9H2,1-4H3
InChIKey
ZWXLWYJXJMJPSB-UHFFFAOYSA-N
Compound name
1-ethyl-1,3,3-trimethyl-2H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.15141 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 145.2
[M+Na]+ 227.140628 155.4
[M-H]- 203.144134 149.4
[M+NH4]+ 222.185233 171.5
[M+K]+ 243.114568 151.5
[M+H-H2O]+ 187.148670 141.7
[M+HCOO]- 249.149611 166.1
[M+CH3COO]- 263.165261 186.2
[M+Na-2H]- 225.126076 150.5
[M]+ 204.15086142 146.5
[M]- 204.15195858 146.5
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

patents stripe