CID 137553780

Chebi:143286

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C#CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H14N2O5/c1-2-3-7(10(16)17)12-8(13)5-4-6(11)9(14)15/h1,6-7H,3-5,11H2,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChIKey
ZQMGEQGKFKWRLU-BQBZGAKWSA-N
Compound name
(2S)-2-amino-5-[[(1S)-1-carboxybut-3-ynyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09027 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.09755 158.7
[M+Na]+ 265.07949 163.3
[M-H]- 241.08299 154.6
[M+NH4]+ 260.12409 171.2
[M+K]+ 281.05343 162.9
[M+H-H2O]+ 225.08753 146.6
[M+HCOO]- 287.08847 171.0
[M+CH3COO]- 301.10412 200.5
[M+Na-2H]- 263.06494 155.1
[M]+ 242.08972 150.7
[M]- 242.09082 150.7
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

No patent data available for this compound.