CID 25082960

Ns00062945

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(C1CCC2CCCCC2C1)OC(=O)C
InChI
InChI=1S/C14H24O2/c1-10(16-11(2)15)13-8-7-12-5-3-4-6-14(12)9-13/h10,12-14H,3-9H2,1-2H3
InChIKey
GWXQRZLWZYNGPY-UHFFFAOYSA-N
Compound name
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.184906 154.6
[M+Na]+ 247.166848 156.7
[M-H]- 223.170354 157.0
[M+NH4]+ 242.211453 173.4
[M+K]+ 263.140788 155.2
[M+H-H2O]+ 207.174890 148.4
[M+HCOO]- 269.175831 168.6
[M+CH3COO]- 283.191481 191.1
[M+Na-2H]- 245.152296 155.1
[M]+ 224.17708142 148.9
[M]- 224.17817858 148.9
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.