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
2
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]+ 183.174346 143.9
[M+Na]+ 205.156288 146.5
[M-H]- 181.159794 145.3
[M+NH4]+ 200.200893 163.9
[M+K]+ 221.130228 144.2
[M+H-H2O]+ 165.164330 138.3
[M+HCOO]- 227.165271 157.7
[M+CH3COO]- 241.180921 181.0
[M+Na-2H]- 203.141736 146.2
[M]+ 182.16652142 135.7
[M]- 182.16761858 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.