CID 102965

3285-02-7

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(C)CCC1(CCC(=O)O1)C
InChI
InChI=1S/C10H18O2/c1-8(2)4-6-10(3)7-5-9(11)12-10/h8H,4-7H2,1-3H3
InChIKey
ISDHGLPSHGTVBV-UHFFFAOYSA-N
Compound name
5-methyl-5-(3-methylbutyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 137.9
[M+Na]+ 193.119898 144.7
[M-H]- 169.123404 141.9
[M+NH4]+ 188.164503 161.0
[M+K]+ 209.093838 145.1
[M+H-H2O]+ 153.127940 134.0
[M+HCOO]- 215.128881 158.7
[M+CH3COO]- 229.144531 179.8
[M+Na-2H]- 191.105346 141.8
[M]+ 170.13013142 138.8
[M]- 170.13122858 138.8
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.