CID 171118576

2-(2'-trans-pentenyl-5'-hydroxy)-3-methyl-2-cyclopenten-1-one

Structural Information

Molecular Formula
C11H16O2
SMILES
CC1=C(C(=O)CC1)C/C=C/CCO
InChI
InChI=1S/C11H16O2/c1-9-6-7-11(13)10(9)5-3-2-4-8-12/h2-3,12H,4-8H2,1H3/b3-2+
InChIKey
GNZGMEFSZMZQOK-NSCUHMNNSA-N
Compound name
2-[(E)-5-hydroxypent-2-enyl]-3-methylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 141.0
[M+Na]+ 203.10426 148.5
[M-H]- 179.10776 143.1
[M+NH4]+ 198.14886 162.5
[M+K]+ 219.07820 145.4
[M+H-H2O]+ 163.11230 136.1
[M+HCOO]- 225.11324 163.5
[M+CH3COO]- 239.12889 179.1
[M+Na-2H]- 201.08971 143.1
[M]+ 180.11449 141.1
[M]- 180.11559 141.1
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.