CID 585271

93175-78-1

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CCCC(C1C(=CC(=O)C)C)(C)C
InChI
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)11(2)9-12(3)15/h7,9,13H,6,8H2,1-5H3
InChIKey
PSLHSYRVWGKZHP-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

206.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 147.5
[M+Na]+ 229.156288 153.8
[M-H]- 205.159794 150.9
[M+NH4]+ 224.200893 169.0
[M+K]+ 245.130228 151.8
[M+H-H2O]+ 189.164330 143.1
[M+HCOO]- 251.165271 166.2
[M+CH3COO]- 265.180921 190.3
[M+Na-2H]- 227.141736 148.7
[M]+ 206.16652142 146.2
[M]- 206.16761858 146.2
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

patents stripe