CID 18669061

198627-86-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
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

literature stripe

Patent stripe

patents stripe