CID 91151

Decahydro-5,5,8a-trimethyl-2-naphthyl acetate

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=O)OC1CCC2C(CCCC2(C1)C)(C)C
InChI
InChI=1S/C15H26O2/c1-11(16)17-12-6-7-13-14(2,3)8-5-9-15(13,4)10-12/h12-13H,5-10H2,1-4H3
InChIKey
RFEUMWKMELDWIM-UHFFFAOYSA-N
Compound name
(5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

266
Patents

238.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 157.3
[M+Na]+ 261.182498 162.3
[M-H]- 237.186004 160.7
[M+NH4]+ 256.227103 180.1
[M+K]+ 277.156438 160.7
[M+H-H2O]+ 221.190540 152.4
[M+HCOO]- 283.191481 172.0
[M+CH3COO]- 297.207131 193.6
[M+Na-2H]- 259.167946 160.3
[M]+ 238.19273142 153.8
[M]- 238.19382858 153.8
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