CID 49978

N-carbamoyl-n-nitroso-3-phenylalanine

Structural Information

Molecular Formula
C10H11N3O4
SMILES
C1=CC=C(C=C1)CC(C(=O)O)N(C(=O)N)N=O
InChI
InChI=1S/C10H11N3O4/c11-10(16)13(12-17)8(9(14)15)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,16)(H,14,15)
InChIKey
OLRGOQHCUKOIAF-UHFFFAOYSA-N
Compound name
2-[carbamoyl(nitroso)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07495 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 150.0
[M+Na]+ 260.06417 154.3
[M-H]- 236.06767 154.4
[M+NH4]+ 255.10877 166.2
[M+K]+ 276.03811 155.2
[M+H-H2O]+ 220.07221 142.2
[M+HCOO]- 282.07315 175.6
[M+CH3COO]- 296.08880 200.0
[M+Na-2H]- 258.04962 153.2
[M]+ 237.07440 149.8
[M]- 237.07550 149.8
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.