CID 2795518

Tert-butyl 4-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)CO
InChI
InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-10-8-18(9-11-19)12-14-4-6-15(13-20)7-5-14/h4-7,20H,8-13H2,1-3H3
InChIKey
KLDBKWMXUMLYJO-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

306.19434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.3
[M+Na]+ 329.18356 180.4
[M-H]- 305.18706 177.9
[M+NH4]+ 324.22816 187.7
[M+K]+ 345.15750 177.4
[M+H-H2O]+ 289.19160 167.6
[M+HCOO]- 351.19254 189.4
[M+CH3COO]- 365.20819 201.8
[M+Na-2H]- 327.16901 177.7
[M]+ 306.19379 174.4
[M]- 306.19489 174.4
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