CID 3051745

Glutamic acid, n-carbamoyl-n-nitroso-

Structural Information

Molecular Formula
C6H9N3O6
SMILES
C(CC(=O)O)[C@@H](C(=O)O)N(C(=O)N)N=O
InChI
InChI=1S/C6H9N3O6/c7-6(14)9(8-15)3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H2,7,14)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey
DZPDAZBHGBSWTO-VKHMYHEASA-N
Compound name
(2S)-2-[carbamoyl(nitroso)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04913 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05641 142.3
[M+Na]+ 242.03835 146.4
[M-H]- 218.04185 142.1
[M+NH4]+ 237.08295 158.4
[M+K]+ 258.01229 149.1
[M+H-H2O]+ 202.04639 135.6
[M+HCOO]- 264.04733 165.6
[M+CH3COO]- 278.06298 194.8
[M+Na-2H]- 240.02380 143.0
[M]+ 219.04858 142.4
[M]- 219.04968 142.4
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.