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

1737
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 119.1
[M+Na]+ 126.05255 126.3
[M-H]- 102.05605 119.2
[M+NH4]+ 121.09715 141.7
[M+K]+ 142.02649 127.0
[M+H-H2O]+ 86.060590 114.5
[M+HCOO]- 148.06153 143.6
[M+CH3COO]- 162.07718 169.0
[M+Na-2H]- 124.03800 125.1
[M]+ 103.06278 119.3
[M]- 103.06388 119.3
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