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

3
Patents

204.15141 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 145.2
[M+Na]+ 227.14063 155.4
[M-H]- 203.14413 149.4
[M+NH4]+ 222.18523 171.5
[M+K]+ 243.11457 151.5
[M+H-H2O]+ 187.14867 141.7
[M+HCOO]- 249.14961 166.1
[M+CH3COO]- 263.16526 186.2
[M+Na-2H]- 225.12608 150.5
[M]+ 204.15086 146.5
[M]- 204.15196 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