CID 21149961

Mcnpu

Structural Information

Molecular Formula
C11H11N3O4
SMILES
C=C(CC(=O)O)N(C(=O)NC1=CC=CC=C1)N=O
InChI
InChI=1S/C11H11N3O4/c1-8(7-10(15)16)14(13-18)11(17)12-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,12,17)(H,15,16)
InChIKey
UDESYWGBISWZFI-UHFFFAOYSA-N
Compound name
3-[nitroso(phenylcarbamoyl)amino]but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07495 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08223 153.3
[M+Na]+ 272.06417 157.5
[M-H]- 248.06767 158.0
[M+NH4]+ 267.10877 169.3
[M+K]+ 288.03811 157.9
[M+H-H2O]+ 232.07221 145.4
[M+HCOO]- 294.07315 179.4
[M+CH3COO]- 308.08880 202.1
[M+Na-2H]- 270.04962 157.0
[M]+ 249.07440 153.6
[M]- 249.07550 153.6
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

patents stripe