CID 18218186

Asn-thr

Structural Information

Molecular Formula
C8H15N3O5
SMILES
CC(C(C(=O)O)NC(=O)C(CC(=O)N)N)O
InChI
InChI=1S/C8H15N3O5/c1-3(12)6(8(15)16)11-7(14)4(9)2-5(10)13/h3-4,6,12H,2,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKey
VBKIFHUVGLOJKT-UHFFFAOYSA-N
Compound name
2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

233.10117 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10845 152.7
[M+Na]+ 256.09039 154.8
[M-H]- 232.09389 148.9
[M+NH4]+ 251.13499 166.7
[M+K]+ 272.06433 155.9
[M+H-H2O]+ 216.09843 146.2
[M+HCOO]- 278.09937 170.3
[M+CH3COO]- 292.11502 195.7
[M+Na-2H]- 254.07584 148.6
[M]+ 233.10062 147.3
[M]- 233.10172 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe