CID 122706227

(2s)-2-amino-5-iminopentanoate

Structural Information

Molecular Formula
C5H10N2O2
SMILES
C(C[C@@H](C(=O)O)N)C=N
InChI
InChI=1S/C5H10N2O2/c6-3-1-2-4(7)5(8)9/h3-4,6H,1-2,7H2,(H,8,9)/t4-/m0/s1
InChIKey
DIKLYCVDFLTLOP-BYPYZUCNSA-N
Compound name
(2S)-2-amino-5-iminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

130.07423 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08151 127.5
[M+Na]+ 153.06345 133.0
[M-H]- 129.06695 125.9
[M+NH4]+ 148.10805 147.6
[M+K]+ 169.03739 132.3
[M+H-H2O]+ 113.07149 122.3
[M+HCOO]- 175.07243 150.3
[M+CH3COO]- 189.08808 174.5
[M+Na-2H]- 151.04890 131.2
[M]+ 130.07368 123.8
[M]- 130.07478 123.8
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.