CID 11687740

158985-25-2

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

405
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 166.3
[M+Na]+ 301.15228 177.0
[M+NH4]+ 296.19688 172.3
[M+K]+ 317.12622 172.5
[M-H]- 277.15578 167.1
[M+Na-2H]- 299.13773 171.3
[M]+ 278.16251 167.9
[M]- 278.16361 167.9
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