CID 3017295

3-cyanopropionamide

Structural Information

Molecular Formula
C4H6N2O
SMILES
C(CC(=O)N)C#N
InChI
InChI=1S/C4H6N2O/c5-3-1-2-4(6)7/h1-2H2,(H2,6,7)
InChIKey
YKAWOJYVXDCFDP-UHFFFAOYSA-N
Compound name
3-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

420
Patents

98.04801 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 118.5
[M+Na]+ 121.037228 127.3
[M-H]- 97.040734 119.1
[M+NH4]+ 116.081833 138.9
[M+K]+ 137.011168 127.4
[M+H-H2O]+ 81.045270 107.4
[M+HCOO]- 143.046211 139.1
[M+CH3COO]- 157.061861 181.9
[M+Na-2H]- 119.022676 124.3
[M]+ 98.04746142 112.4
[M]- 98.04855858 112.4
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