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]+ 234.10845 150.5
[M+Na]+ 256.09039 154.3
[M-H]- 232.09389 151.3
[M+NH4]+ 251.13499 167.2
[M+K]+ 272.06433 156.9
[M+H-H2O]+ 216.09843 143.3
[M+HCOO]- 278.09937 175.3
[M+CH3COO]- 292.11502 200.0
[M+Na-2H]- 254.07584 151.8
[M]+ 233.10062 153.1
[M]- 233.10172 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.