CID 23006304

1461713-79-0

Structural Information

Molecular Formula
C10H15N3O3
SMILES
CN1CCN(CC1)CC2=CC(=NO2)C(=O)O
InChI
InChI=1S/C10H15N3O3/c1-12-2-4-13(5-3-12)7-8-6-9(10(14)15)11-16-8/h6H,2-5,7H2,1H3,(H,14,15)
InChIKey
PFKQISBVBFYHPQ-UHFFFAOYSA-N
Compound name
5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11134 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.118616 150.4
[M+Na]+ 248.100558 156.8
[M-H]- 224.104064 152.0
[M+NH4]+ 243.145163 163.9
[M+K]+ 264.074498 155.8
[M+H-H2O]+ 208.108600 141.8
[M+HCOO]- 270.109541 165.9
[M+CH3COO]- 284.125191 185.2
[M+Na-2H]- 246.086006 152.3
[M]+ 225.11079142 148.5
[M]- 225.11188858 148.5
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.