CID 6437264

Einecs 267-135-7

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CCC(C1(C)C)/C=C\C(C)C(=O)C
InChI
InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-8,10,13H,9H2,1-5H3/b8-6-
InChIKey
WPDAGRUACGXJJP-VURMDHGXSA-N
Compound name
(Z)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

206.16707 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 148.8
[M+Na]+ 229.15629 156.0
[M-H]- 205.15979 152.5
[M+NH4]+ 224.20089 172.1
[M+K]+ 245.13023 153.7
[M+H-H2O]+ 189.16433 144.8
[M+HCOO]- 251.16527 169.6
[M+CH3COO]- 265.18092 190.0
[M+Na-2H]- 227.14174 148.8
[M]+ 206.16652 149.5
[M]- 206.16762 149.5
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