CID 27589

3-(1,2-dimethylpropyl)-5-methyldihydro-2(3h)-furanone

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1CC(C(=O)O1)C(C)C(C)C
InChI
InChI=1S/C10H18O2/c1-6(2)8(4)9-5-7(3)12-10(9)11/h6-9H,5H2,1-4H3
InChIKey
IBZPZEZGVVMSMM-UHFFFAOYSA-N
Compound name
5-methyl-3-(3-methylbutan-2-yl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.1
[M+Na]+ 193.11990 145.7
[M-H]- 169.12340 143.2
[M+NH4]+ 188.16450 160.4
[M+K]+ 209.09384 146.3
[M+H-H2O]+ 153.12794 134.6
[M+HCOO]- 215.12888 158.8
[M+CH3COO]- 229.14453 182.3
[M+Na-2H]- 191.10535 139.9
[M]+ 170.13013 139.5
[M]- 170.13123 139.5
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.