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

209
Patents

234.13683 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.6
[M+Na]+ 257.126048 158.7
[M-H]- 233.129554 156.2
[M+NH4]+ 252.170653 168.3
[M+K]+ 273.099988 155.9
[M+H-H2O]+ 217.134090 145.9
[M+HCOO]- 279.135031 169.4
[M+CH3COO]- 293.150681 189.0
[M+Na-2H]- 255.111496 156.7
[M]+ 234.13628142 149.5
[M]- 234.13737858 149.5
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

patents stripe