CID 54686884

220809-37-0

Structural Information

Molecular Formula
C8H10O3
SMILES
CC(C)C1=CC(=CC(=O)O1)O
InChI
InChI=1S/C8H10O3/c1-5(2)7-3-6(9)4-8(10)11-7/h3-5,9H,1-2H3
InChIKey
QJQGKFBKKILFFI-UHFFFAOYSA-N
Compound name
4-hydroxy-6-propan-2-ylpyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

154.06299 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 127.5
[M+Na]+ 177.05221 136.8
[M-H]- 153.05571 131.4
[M+NH4]+ 172.09681 147.1
[M+K]+ 193.02615 136.7
[M+H-H2O]+ 137.06025 122.5
[M+HCOO]- 199.06119 149.9
[M+CH3COO]- 213.07684 174.1
[M+Na-2H]- 175.03766 134.2
[M]+ 154.06244 129.6
[M]- 154.06354 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe