CID 2771612

394655-10-8

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CN(CCN1)C2=C(C=CC=C2N)C(=O)O
InChI
InChI=1S/C11H15N3O2/c12-9-3-1-2-8(11(15)16)10(9)14-6-4-13-5-7-14/h1-3,13H,4-7,12H2,(H,15,16)
InChIKey
FALFNUUTHISYQR-UHFFFAOYSA-N
Compound name
3-amino-2-piperazin-1-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.5
[M+Na]+ 244.10564 155.5
[M-H]- 220.10914 150.9
[M+NH4]+ 239.15024 163.8
[M+K]+ 260.07958 151.4
[M+H-H2O]+ 204.11368 142.4
[M+HCOO]- 266.11462 166.0
[M+CH3COO]- 280.13027 185.4
[M+Na-2H]- 242.09109 153.1
[M]+ 221.11587 142.3
[M]- 221.11697 142.3
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.