CID 18522

2-methyltetrahydrofuran-3-one

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1C(=O)CCO1
InChI
InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey
FCWYQRVIQDNGBI-UHFFFAOYSA-N
Compound name
2-methyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

1269
Patents

100.05243 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 117.0
[M+Na]+ 123.04165 127.8
[M+NH4]+ 118.08625 125.9
[M+K]+ 139.01559 124.7
[M-H]- 99.045154 119.4
[M+Na-2H]- 121.02710 121.4
[M]+ 100.05188 119.0
[M]- 100.05298 119.0
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