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

7
Patents

210.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 149.9
[M+Na]+ 233.15121 152.7
[M-H]- 209.15471 152.5
[M+NH4]+ 228.19581 169.4
[M+K]+ 249.12515 151.0
[M+H-H2O]+ 193.15925 143.7
[M+HCOO]- 255.16019 165.3
[M+CH3COO]- 269.17584 187.2
[M+Na-2H]- 231.13666 152.2
[M]+ 210.16144 144.6
[M]- 210.16254 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