CID 6578

Propionamide

Structural Information

Molecular Formula
C3H7NO
SMILES
CCC(=O)N
InChI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
InChIKey
QLNJFJADRCOGBJ-UHFFFAOYSA-N
Compound name
propanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

382
References

147543
Patents

73.052765 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 74.060041 111.6
[M+Na]+ 96.041983 119.3
[M-H]- 72.045489 111.9
[M+NH4]+ 91.086588 135.4
[M+K]+ 112.01592 119.8
[M+H-H2O]+ 56.050025 107.5
[M+HCOO]- 118.05097 136.2
[M+CH3COO]- 132.06662 164.0
[M+Na-2H]- 94.027431 118.2
[M]+ 73.052216 110.0
[M]- 73.053314 110.0
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