CID 109423

5-hexen-3-one, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Structural Information

Molecular Formula
C14H22O
SMILES
CCC(=O)CC=CC1CC=C(C1(C)C)C
InChI
InChI=1S/C14H22O/c1-5-13(15)8-6-7-12-10-9-11(2)14(12,3)4/h6-7,9,12H,5,8,10H2,1-4H3
InChIKey
YZZSBPWKVIUTHA-UHFFFAOYSA-N
Compound name
6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 148.9
[M+Na]+ 229.15629 156.3
[M-H]- 205.15979 152.4
[M+NH4]+ 224.20089 172.2
[M+K]+ 245.13023 153.5
[M+H-H2O]+ 189.16433 144.7
[M+HCOO]- 251.16527 170.7
[M+CH3COO]- 265.18092 189.2
[M+Na-2H]- 227.14174 150.0
[M]+ 206.16652 150.3
[M]- 206.16762 150.3
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