CID 137553764

Chebi:143210

Structural Information

Molecular Formula
C7H15N3O4
SMILES
CNC(=O)N(CCC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C7H15N3O4/c1-9-7(13)10(14)4-2-3-5(8)6(11)12/h5,14H,2-4,8H2,1H3,(H,9,13)(H,11,12)/t5-/m0/s1
InChIKey
BFAJHARTSOPNFL-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-[hydroxy(methylcarbamoyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.10626 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11354 146.2
[M+Na]+ 228.09548 149.4
[M-H]- 204.09898 144.4
[M+NH4]+ 223.14008 162.7
[M+K]+ 244.06942 150.6
[M+H-H2O]+ 188.10352 139.7
[M+HCOO]- 250.10446 167.8
[M+CH3COO]- 264.12011 191.0
[M+Na-2H]- 226.08093 146.6
[M]+ 205.10571 143.8
[M]- 205.10681 143.8
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.