CID 56158

Brn 5556980

Structural Information

Molecular Formula
C8H15N3O5
SMILES
COC(=O)N(CCCC[C@@H](C(=O)O)N)N=O
InChI
InChI=1S/C8H15N3O5/c1-16-8(14)11(10-15)5-3-2-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H,12,13)/t6-/m0/s1
InChIKey
XAMRQWVHGJKKKU-LURJTMIESA-N
Compound name
(2S)-2-amino-6-[methoxycarbonyl(nitroso)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10117 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.108446 150.5
[M+Na]+ 256.090388 154.3
[M-H]- 232.093894 151.3
[M+NH4]+ 251.134993 167.2
[M+K]+ 272.064328 156.9
[M+H-H2O]+ 216.098430 143.3
[M+HCOO]- 278.099371 175.3
[M+CH3COO]- 292.115021 200.0
[M+Na-2H]- 254.075836 151.8
[M]+ 233.10062142 153.1
[M]- 233.10171858 153.1
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.