CID 11687740

4-(4-hydroxy-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-10-8-16(9-11-17)12-4-6-13(18)7-5-12/h4-7,18H,8-11H2,1-3H3
InChIKey
YEHWSWXESXPBOS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

278.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.3
[M+Na]+ 301.15228 172.3
[M-H]- 277.15578 169.4
[M+NH4]+ 296.19688 179.9
[M+K]+ 317.12622 169.8
[M+H-H2O]+ 261.16032 159.1
[M+HCOO]- 323.16126 181.1
[M+CH3COO]- 337.17691 195.8
[M+Na-2H]- 299.13773 169.8
[M]+ 278.16251 164.7
[M]- 278.16361 164.7
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