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
2
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]+ 207.174346 147.0
[M+Na]+ 229.156288 155.4
[M-H]- 205.159794 151.0
[M+NH4]+ 224.200893 170.7
[M+K]+ 245.130228 152.6
[M+H-H2O]+ 189.164330 143.2
[M+HCOO]- 251.165271 168.9
[M+CH3COO]- 265.180921 190.3
[M+Na-2H]- 227.141736 147.7
[M]+ 206.16652142 148.8
[M]- 206.16761858 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.