CID 536585

2(5h)-furanone, 4,5,5-trimethyl-3-(3-methyl-2-methylenebutyl)-

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1=C(C(=O)OC1(C)C)CC(=C)C(C)C
InChI
InChI=1S/C13H20O2/c1-8(2)9(3)7-11-10(4)13(5,6)15-12(11)14/h8H,3,7H2,1-2,4-6H3
InChIKey
QLGACDJHDZHSAF-UHFFFAOYSA-N
Compound name
4,5,5-trimethyl-3-(3-methyl-2-methylidenebutyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 145.2
[M+Na]+ 231.135548 153.7
[M-H]- 207.139054 150.0
[M+NH4]+ 226.180153 167.4
[M+K]+ 247.109488 153.1
[M+H-H2O]+ 191.143590 141.8
[M+HCOO]- 253.144531 165.7
[M+CH3COO]- 267.160181 190.9
[M+Na-2H]- 229.120996 146.4
[M]+ 208.14578142 148.2
[M]- 208.14687858 148.2
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.