CID 273568

Dtxsid901141898

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=C2CC(CCC2(CCC1=O)C)C(=C)C
InChI
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3
InChIKey
KUFXJZXMWHNCEH-UHFFFAOYSA-N
Compound name
1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

288
Patents

218.16707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 150.2
[M+Na]+ 241.156288 156.5
[M-H]- 217.159794 154.1
[M+NH4]+ 236.200893 172.1
[M+K]+ 257.130228 153.2
[M+H-H2O]+ 201.164330 145.2
[M+HCOO]- 263.165271 166.4
[M+CH3COO]- 277.180921 192.5
[M+Na-2H]- 239.141736 152.4
[M]+ 218.16652142 146.1
[M]- 218.16761858 146.1
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