CID 13880234

4,4-diethyl-3-hydroxyoxolan-2-one

Structural Information

Molecular Formula
C8H14O3
SMILES
CCC1(COC(=O)C1O)CC
InChI
InChI=1S/C8H14O3/c1-3-8(4-2)5-11-7(10)6(8)9/h6,9H,3-5H2,1-2H3
InChIKey
YSEVXTPQLOXXKJ-UHFFFAOYSA-N
Compound name
4,4-diethyl-3-hydroxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 130.9
[M+Na]+ 181.083518 139.2
[M-H]- 157.087024 134.1
[M+NH4]+ 176.128123 154.0
[M+K]+ 197.057458 139.2
[M+H-H2O]+ 141.091560 127.6
[M+HCOO]- 203.092501 152.0
[M+CH3COO]- 217.108151 173.5
[M+Na-2H]- 179.068966 136.2
[M]+ 158.09375142 131.8
[M]- 158.09484858 131.8
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.