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]+ 226.11862 150.4
[M+Na]+ 248.10056 156.8
[M-H]- 224.10406 152.0
[M+NH4]+ 243.14516 163.9
[M+K]+ 264.07450 155.8
[M+H-H2O]+ 208.10860 141.8
[M+HCOO]- 270.10954 165.9
[M+CH3COO]- 284.12519 185.2
[M+Na-2H]- 246.08601 152.3
[M]+ 225.11079 148.5
[M]- 225.11189 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.