CID 137553760

Chebi:143208

Structural Information

Molecular Formula
C7H16N4O4
SMILES
CN=C(NO)N(CCC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C7H16N4O4/c1-9-7(10-14)11(15)4-2-3-5(8)6(12)13/h5,14-15H,2-4,8H2,1H3,(H,9,10)(H,12,13)/t5-/m0/s1
InChIKey
IJGHVDBSMAKBBH-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-[hydroxy-(N-hydroxy-N'-methylcarbamimidoyl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.11716 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12444 149.1
[M+Na]+ 243.10638 151.5
[M-H]- 219.10988 147.3
[M+NH4]+ 238.15098 164.6
[M+K]+ 259.08032 152.9
[M+H-H2O]+ 203.11442 141.9
[M+HCOO]- 265.11536 171.7
[M+CH3COO]- 279.13101 195.9
[M+Na-2H]- 241.09183 149.8
[M]+ 220.11661 145.8
[M]- 220.11771 145.8
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.