CID 444939

2-aminopropanamide

Structural Information

Molecular Formula
C3H8N2O
SMILES
C[C@@H](C(=O)N)N
InChI
InChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)/t2-/m0/s1
InChIKey
HQMLIDZJXVVKCW-REOHCLBHSA-N
Compound name
(2S)-2-aminopropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

8786
Patents

88.06366 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.070936 116.8
[M+Na]+ 111.05288 123.3
[M-H]- 87.056384 116.6
[M+NH4]+ 106.09748 139.2
[M+K]+ 127.02682 123.8
[M+H-H2O]+ 71.060920 112.0
[M+HCOO]- 133.06186 140.7
[M+CH3COO]- 147.07751 169.2
[M+Na-2H]- 109.03833 121.0
[M]+ 88.063111 112.6
[M]- 88.064209 112.6
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