CID 27589

15971-47-8

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]+ 171.137956 139.1
[M+Na]+ 193.119898 145.7
[M-H]- 169.123404 143.2
[M+NH4]+ 188.164503 160.4
[M+K]+ 209.093838 146.3
[M+H-H2O]+ 153.127940 134.6
[M+HCOO]- 215.128881 158.8
[M+CH3COO]- 229.144531 182.3
[M+Na-2H]- 191.105346 139.9
[M]+ 170.13013142 139.5
[M]- 170.13122858 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.