CID 2050627

705941-42-0

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC1=CC(=CC=C1)C(=O)N2CCN(CC2)CC(=O)O
InChI
InChI=1S/C14H18N2O3/c1-11-3-2-4-12(9-11)14(19)16-7-5-15(6-8-16)10-13(17)18/h2-4,9H,5-8,10H2,1H3,(H,17,18)
InChIKey
PMAPGDUOMFOLPL-UHFFFAOYSA-N
Compound name
2-[4-(3-methylbenzoyl)piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.2
[M+Na]+ 285.12096 172.1
[M+NH4]+ 280.16556 167.1
[M+K]+ 301.09490 167.2
[M-H]- 261.12446 162.2
[M+Na-2H]- 283.10641 166.0
[M]+ 262.13119 162.6
[M]- 262.13229 162.6
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.