CID 22957262

2-(4-methylpiperazin-1-yl)-2-phenylacetic acid

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CN1CCN(CC1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12(13(16)17)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,17)
InChIKey
OQZOPIFSTNJPIM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

234.13683 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.9
[M+Na]+ 257.12605 166.0
[M+NH4]+ 252.17065 161.8
[M+K]+ 273.09999 160.7
[M-H]- 233.12955 156.6
[M+Na-2H]- 255.11150 160.7
[M]+ 234.13628 156.6
[M]- 234.13738 156.6
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

patents stripe