CID 2795510

4-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzyl alcohol

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-8-17(9-11-18)14-6-4-13(12-19)5-7-14/h4-7,19H,8-12H2,1-3H3
InChIKey
PXKYXTXYWJKTSQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

292.17868 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 171.8
[M+Na]+ 315.16790 176.3
[M-H]- 291.17140 173.6
[M+NH4]+ 310.21250 183.8
[M+K]+ 331.14184 173.6
[M+H-H2O]+ 275.17594 163.3
[M+HCOO]- 337.17688 185.3
[M+CH3COO]- 351.19253 198.8
[M+Na-2H]- 313.15335 173.8
[M]+ 292.17813 169.5
[M]- 292.17923 169.5
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