CID 106804

67800-85-5

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(C)C=C(C)C1CCC(=O)O1
InChI
InChI=1S/C10H16O2/c1-7(2)6-8(3)9-4-5-10(11)12-9/h6-7,9H,4-5H2,1-3H3
InChIKey
FXCKJKMSFIQXFM-UHFFFAOYSA-N
Compound name
5-(4-methylpent-2-en-2-yl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.1
[M+Na]+ 191.10426 145.0
[M-H]- 167.10776 142.8
[M+NH4]+ 186.14886 160.1
[M+K]+ 207.07820 145.1
[M+H-H2O]+ 151.11230 134.3
[M+HCOO]- 213.11324 159.0
[M+CH3COO]- 227.12889 179.6
[M+Na-2H]- 189.08971 140.4
[M]+ 168.11449 138.2
[M]- 168.11559 138.2
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.