CID 46897866

(e)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C12H15N3O3
SMILES
CC(C)(C(=O)O)O/N=C/C1=CC=C(C=C1)C(=N)N
InChI
InChI=1S/C12H15N3O3/c1-12(2,11(16)17)18-15-7-8-3-5-9(6-4-8)10(13)14/h3-7H,1-2H3,(H3,13,14)(H,16,17)/b15-7+
InChIKey
XNCYVTKDNMFVND-VIZOYTHASA-N
Compound name
2-[(E)-(4-carbamimidoylphenyl)methylideneamino]oxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11134 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 155.4
[M+Na]+ 272.10056 160.4
[M-H]- 248.10406 158.5
[M+NH4]+ 267.14516 171.1
[M+K]+ 288.07450 158.8
[M+H-H2O]+ 232.10860 148.5
[M+HCOO]- 294.10954 179.0
[M+CH3COO]- 308.12519 201.1
[M+Na-2H]- 270.08601 159.6
[M]+ 249.11079 153.7
[M]- 249.11189 153.7
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.