CID 98451

1679-49-8

Structural Information

Molecular Formula
C5H8O2
SMILES
CC1CC(=O)OC1
InChI
InChI=1S/C5H8O2/c1-4-2-5(6)7-3-4/h4H,2-3H2,1H3
InChIKey
ALZLTHLQMAFAPA-UHFFFAOYSA-N
Compound name
4-methyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3521
Patents

100.05243 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 115.6
[M+Na]+ 123.041648 123.8
[M-H]- 99.045154 120.0
[M+NH4]+ 118.086253 139.5
[M+K]+ 139.015588 125.0
[M+H-H2O]+ 83.049690 111.5
[M+HCOO]- 145.050631 139.0
[M+CH3COO]- 159.066281 164.2
[M+Na-2H]- 121.027096 122.2
[M]+ 100.05188142 115.1
[M]- 100.05297858 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

literature stripe

Patent stripe

patents stripe