CID 13419739

2(5h)-furanone, 4-(1-hydroxy-1-methylethyl)-5,5-dimethyl-

Structural Information

Molecular Formula
C9H14O3
SMILES
CC1(C(=CC(=O)O1)C(C)(C)O)C
InChI
InChI=1S/C9H14O3/c1-8(2,11)6-5-7(10)12-9(6,3)4/h5,11H,1-4H3
InChIKey
YAXNBSGQYMGDCL-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropan-2-yl)-5,5-dimethylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 132.6
[M+Na]+ 193.08352 142.0
[M-H]- 169.08702 136.4
[M+NH4]+ 188.12812 155.5
[M+K]+ 209.05746 142.0
[M+H-H2O]+ 153.09156 130.0
[M+HCOO]- 215.09250 153.4
[M+CH3COO]- 229.10815 176.5
[M+Na-2H]- 191.06897 139.4
[M]+ 170.09375 134.9
[M]- 170.09485 134.9
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.