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

36
Patents

306.19434 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 176.3
[M+Na]+ 329.183558 180.4
[M-H]- 305.187064 177.9
[M+NH4]+ 324.228163 187.7
[M+K]+ 345.157498 177.4
[M+H-H2O]+ 289.191600 167.6
[M+HCOO]- 351.192541 189.4
[M+CH3COO]- 365.208191 201.8
[M+Na-2H]- 327.169006 177.7
[M]+ 306.19379142 174.4
[M]- 306.19488858 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