CID 175129

72727-65-2

Structural Information

Molecular Formula
C12H22O
SMILES
CC(C1CCC2CCCCC2C1)O
InChI
InChI=1S/C12H22O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h9-13H,2-8H2,1H3
InChIKey
KEBJPGDSNHGJFB-UHFFFAOYSA-N
Compound name
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 143.9
[M+Na]+ 205.15629 146.5
[M-H]- 181.15979 145.3
[M+NH4]+ 200.20089 163.9
[M+K]+ 221.13023 144.2
[M+H-H2O]+ 165.16433 138.3
[M+HCOO]- 227.16527 157.7
[M+CH3COO]- 241.18092 181.0
[M+Na-2H]- 203.14174 146.2
[M]+ 182.16652 135.7
[M]- 182.16762 135.7
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

No patent data available for this compound.