CID 347476

N-propylpropanamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCCNC(=O)CC
InChI
InChI=1S/C6H13NO/c1-3-5-7-6(8)4-2/h3-5H2,1-2H3,(H,7,8)
InChIKey
YUMCRXLLWKQDJY-UHFFFAOYSA-N
Compound name
N-propylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1433
Patents

115.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.3
[M+Na]+ 138.088938 131.8
[M-H]- 114.092444 125.7
[M+NH4]+ 133.133543 147.8
[M+K]+ 154.062878 131.9
[M+H-H2O]+ 98.096980 120.6
[M+HCOO]- 160.097921 149.5
[M+CH3COO]- 174.113571 173.2
[M+Na-2H]- 136.074386 131.3
[M]+ 115.09917142 125.7
[M]- 115.10026858 125.7
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