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
2
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]+ 169.122316 139.1
[M+Na]+ 191.104258 145.0
[M-H]- 167.107764 142.8
[M+NH4]+ 186.148863 160.1
[M+K]+ 207.078198 145.1
[M+H-H2O]+ 151.112300 134.3
[M+HCOO]- 213.113241 159.0
[M+CH3COO]- 227.128891 179.6
[M+Na-2H]- 189.089706 140.4
[M]+ 168.11449142 138.2
[M]- 168.11558858 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.