CID 6442114

Einecs 268-228-5

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=C(C(C(C1)C/C=C/C(=O)C)(C)C)C
InChI
InChI=1S/C14H22O/c1-10-9-13(8-6-7-11(2)15)14(4,5)12(10)3/h6-7,13H,8-9H2,1-5H3/b7-6+
InChIKey
FKDQKLCOBQJMHY-VOTSOKGWSA-N
Compound name
(E)-5-(2,2,3,4-tetramethylcyclopent-3-en-1-yl)pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 147.0
[M+Na]+ 229.15629 155.4
[M-H]- 205.15979 151.0
[M+NH4]+ 224.20089 170.7
[M+K]+ 245.13023 152.6
[M+H-H2O]+ 189.16433 143.2
[M+HCOO]- 251.16527 168.9
[M+CH3COO]- 265.18092 190.3
[M+Na-2H]- 227.14174 147.7
[M]+ 206.16652 148.8
[M]- 206.16762 148.8
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.