CID 85768837

Ns00113877

Structural Information

Molecular Formula
C9H14O2
SMILES
CC(C)CC1=C(C(=O)CC1)O
InChI
InChI=1S/C9H14O2/c1-6(2)5-7-3-4-8(10)9(7)11/h6,11H,3-5H2,1-2H3
InChIKey
OSHNTHLEURXCDQ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(2-methylpropyl)cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 133.1
[M+Na]+ 177.088598 140.9
[M-H]- 153.092104 135.7
[M+NH4]+ 172.133203 155.7
[M+K]+ 193.062538 139.3
[M+H-H2O]+ 137.096640 128.7
[M+HCOO]- 199.097581 155.1
[M+CH3COO]- 213.113231 175.4
[M+Na-2H]- 175.074046 135.1
[M]+ 154.09883142 132.7
[M]- 154.09992858 132.7
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.