CID 66509375

1361112-26-6

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-8-17-13(10-18)11-4-6-12(7-5-11)14(19)20/h4-7,13,17H,8-10H2,1-3H3,(H,19,20)
InChIKey
NOFZILQIQHEJAT-UHFFFAOYSA-N
Compound name
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15796 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 172.0
[M+Na]+ 329.14718 181.1
[M+NH4]+ 324.19178 176.4
[M+K]+ 345.12112 178.0
[M-H]- 305.15068 171.3
[M+Na-2H]- 327.13263 175.3
[M]+ 306.15741 172.6
[M]- 306.15851 172.6
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.