CID 520667

5-methyloxolan-3-one

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1CC(=O)CO1
InChI
InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3
InChIKey
YJZXJDJWRQIWDL-UHFFFAOYSA-N
Compound name
5-methyloxolan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

100.05243 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 115.6
[M+Na]+ 123.04165 123.8
[M-H]- 99.045154 120.0
[M+NH4]+ 118.08625 139.5
[M+K]+ 139.01559 125.0
[M+H-H2O]+ 83.049690 111.5
[M+HCOO]- 145.05063 139.0
[M+CH3COO]- 159.06628 164.2
[M+Na-2H]- 121.02710 122.2
[M]+ 100.05188 115.1
[M]- 100.05298 115.1
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

patents stripe