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]+ 250.118616 155.4
[M+Na]+ 272.100558 160.4
[M-H]- 248.104064 158.5
[M+NH4]+ 267.145163 171.1
[M+K]+ 288.074498 158.8
[M+H-H2O]+ 232.108600 148.5
[M+HCOO]- 294.109541 179.0
[M+CH3COO]- 308.125191 201.1
[M+Na-2H]- 270.086006 159.6
[M]+ 249.11079142 153.7
[M]- 249.11188858 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.