CID 198423

61798-04-7

Structural Information

Molecular Formula
C3H8N2O
SMILES
C(C(=O)CN)N
InChI
InChI=1S/C3H8N2O/c4-1-3(6)2-5/h1-2,4-5H2
InChIKey
RSBQFKJVGZVGFM-UHFFFAOYSA-N
Compound name
1,3-diaminopropan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

447
Patents

88.06366 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.070936 115.4
[M+Na]+ 111.05288 123.6
[M+NH4]+ 106.09748 122.9
[M+K]+ 127.02682 119.9
[M-H]- 87.056384 115.2
[M+Na-2H]- 109.03833 118.7
[M]+ 88.063111 116.0
[M]- 88.064209 116.0
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