CID 5252481

3-methoxypropanamide

Structural Information

Molecular Formula
C4H9NO2
SMILES
COCCC(=O)N
InChI
InChI=1S/C4H9NO2/c1-7-3-2-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKey
BPXCLLWXDHBFRH-UHFFFAOYSA-N
Compound name
3-methoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

960
Patents

103.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 118.9
[M+Na]+ 126.05255 128.1
[M+NH4]+ 121.09715 126.4
[M+K]+ 142.02649 124.0
[M-H]- 102.05605 118.2
[M+Na-2H]- 124.03800 122.4
[M]+ 103.06278 119.6
[M]- 103.06388 119.6
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