CID 2795518

622381-67-3

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 175.1
[M+Na]+ 329.18356 185.4
[M+NH4]+ 324.22816 180.7
[M+K]+ 345.15750 180.4
[M-H]- 305.18706 175.9
[M+Na-2H]- 327.16901 179.6
[M]+ 306.19379 176.6
[M]- 306.19489 176.6
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