CID 106938

67874-79-7

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(=O)OC1CCC2CCCCC2C1
InChI
InChI=1S/C13H22O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h10-12H,2-9H2,1H3
InChIKey
OZTDQTXYXZFKJA-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

210.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.9
[M+Na]+ 233.151208 152.7
[M-H]- 209.154714 152.5
[M+NH4]+ 228.195813 169.4
[M+K]+ 249.125148 151.0
[M+H-H2O]+ 193.159250 143.7
[M+HCOO]- 255.160191 165.3
[M+CH3COO]- 269.175841 187.2
[M+Na-2H]- 231.136656 152.2
[M]+ 210.16144142 144.6
[M]- 210.16253858 144.6
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