CID 11636805

D-asparagine amide

Structural Information

Molecular Formula
C4H9N3O2
SMILES
C([C@H](C(=O)N)N)C(=O)N
InChI
InChI=1S/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)/t2-/m1/s1
InChIKey
DSLBDPPHINVUID-UWTATZPHSA-N
Compound name
(2R)-2-aminobutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

131.06947 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.07675 127.1
[M+Na]+ 154.05869 132.3
[M-H]- 130.06219 126.1
[M+NH4]+ 149.10329 146.8
[M+K]+ 170.03263 132.7
[M+H-H2O]+ 114.06673 121.3
[M+HCOO]- 176.06767 150.4
[M+CH3COO]- 190.08332 179.1
[M+Na-2H]- 152.04414 128.5
[M]+ 131.06892 121.4
[M]- 131.07002 121.4
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