CID 137553762

N(delta)-hydroxy-n(omega)-methyl-n(omega)-nitroso-l-citrulline

Structural Information

Molecular Formula
C7H14N4O5
SMILES
CN(C(=O)N(CCC[C@@H](C(=O)O)N)O)N=O
InChI
InChI=1S/C7H14N4O5/c1-10(9-15)7(14)11(16)4-2-3-5(8)6(12)13/h5,16H,2-4,8H2,1H3,(H,12,13)/t5-/m0/s1
InChIKey
MWLMDLOPROTZCL-YFKPBYRVSA-N
Compound name
(2S)-2-amino-5-[hydroxy-[methyl(nitroso)carbamoyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.09642 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10370 149.8
[M+Na]+ 257.08564 152.9
[M-H]- 233.08914 150.8
[M+NH4]+ 252.13024 165.9
[M+K]+ 273.05958 156.5
[M+H-H2O]+ 217.09368 142.3
[M+HCOO]- 279.09462 174.8
[M+CH3COO]- 293.11027 203.5
[M+Na-2H]- 255.07109 150.6
[M]+ 234.09587 150.5
[M]- 234.09697 150.5
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.