CID 11124

Methyl propionate

Structural Information

Molecular Formula
C4H8O2
SMILES
CCC(=O)OC
InChI
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChIKey
RJUFJBKOKNCXHH-UHFFFAOYSA-N
Compound name
methyl propanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

40
References

37542
Patents

88.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 114.9
[M+Na]+ 111.04165 125.7
[M+NH4]+ 106.08625 123.2
[M+K]+ 127.01559 121.0
[M-H]- 87.045154 114.2
[M+Na-2H]- 109.02710 119.3
[M]+ 88.051881 116.0
[M]- 88.052979 116.0
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