CID 86671

18174-13-5

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CCC2CC(CC(=O)C2(C1)C)C(=C)C
InChI
InChI=1S/C15H22O/c1-10(2)12-7-13-6-5-11(3)9-15(13,4)14(16)8-12/h5,12-13H,1,6-9H2,2-4H3
InChIKey
VGHRNFJTQACVIZ-UHFFFAOYSA-N
Compound name
7,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,5,8-hexahydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.