CID 20836221

84604-62-6

Structural Information

Molecular Formula
C12H18O2
SMILES
CC/C=C\CCOC1=C(CCC1=O)C
InChI
InChI=1S/C12H18O2/c1-3-4-5-6-9-14-12-10(2)7-8-11(12)13/h4-5H,3,6-9H2,1-2H3/b5-4-
InChIKey
KJWUAEBWOUQMNW-PLNGDYQASA-N
Compound name
2-[(Z)-hex-3-enoxy]-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 144.8
[M+Na]+ 217.119898 152.3
[M-H]- 193.123404 148.1
[M+NH4]+ 212.164503 166.5
[M+K]+ 233.093838 149.9
[M+H-H2O]+ 177.127940 139.5
[M+HCOO]- 239.128881 168.4
[M+CH3COO]- 253.144531 184.8
[M+Na-2H]- 215.105346 146.8
[M]+ 194.13013142 147.2
[M]- 194.13122858 147.2
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

No patent data available for this compound.