CID 3051744

Diethyl n-carbamoyl-n-nitrosoglutamate

Structural Information

Molecular Formula
C10H17N3O6
SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)N(C(=O)N)N=O
InChI
InChI=1S/C10H17N3O6/c1-3-18-8(14)6-5-7(9(15)19-4-2)13(12-17)10(11)16/h7H,3-6H2,1-2H3,(H2,11,16)/t7-/m0/s1
InChIKey
USBGWXRDTPCNGI-ZETCQYMHSA-N
Compound name
diethyl (2S)-2-[carbamoyl(nitroso)amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11172 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11900 160.3
[M+Na]+ 298.10094 163.9
[M-H]- 274.10444 162.4
[M+NH4]+ 293.14554 175.9
[M+K]+ 314.07488 167.3
[M+H-H2O]+ 258.10898 152.7
[M+HCOO]- 320.10992 185.5
[M+CH3COO]- 334.12557 210.0
[M+Na-2H]- 296.08639 160.2
[M]+ 275.11117 165.7
[M]- 275.11227 165.7
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.