CID 16740782

886768-17-8

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-10-9-17-14(11-18)12-5-7-13(20-4)8-6-12/h5-8,14,17H,9-11H2,1-4H3
InChIKey
CFWSKJOGTKJXPT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-methoxyphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

292.17868 Da
Monoisotopic Mass

2.0
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