CID 25324

Decahydro-2-naphthyl acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC1CCC2CCCCC2C1
InChI
InChI=1S/C12H20O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h10-12H,2-8H2,1H3
InChIKey
XKCLIPLFEJSOAT-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1453
Patents

196.14633 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.3
[M+Na]+ 219.135548 148.5
[M-H]- 195.139054 148.1
[M+NH4]+ 214.180153 165.3
[M+K]+ 235.109488 147.1
[M+H-H2O]+ 179.143590 139.3
[M+HCOO]- 241.144531 161.0
[M+CH3COO]- 255.160181 184.2
[M+Na-2H]- 217.120996 148.1
[M]+ 196.14578142 139.6
[M]- 196.14687858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe