CID 5744151

Einecs 298-945-9

Structural Information

Molecular Formula
C15H22O
SMILES
CC1CC(=O)C=C2C1(CCC(=C2)C(C)C)C
InChI
InChI=1S/C15H22O/c1-10(2)12-5-6-15(4)11(3)7-14(16)9-13(15)8-12/h8-11H,5-7H2,1-4H3
InChIKey
ZMOKITSGSADCRZ-UHFFFAOYSA-N
Compound name
4,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 150.1
[M+Na]+ 241.156288 157.1
[M-H]- 217.159794 154.4
[M+NH4]+ 236.200893 172.3
[M+K]+ 257.130228 154.3
[M+H-H2O]+ 201.164330 144.9
[M+HCOO]- 263.165271 167.6
[M+CH3COO]- 277.180921 192.9
[M+Na-2H]- 239.141736 153.3
[M]+ 218.16652142 148.2
[M]- 218.16761858 148.2
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.