CID 16740801

886768-09-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.185956 171.8
[M+Na]+ 315.167898 176.3
[M-H]- 291.171404 173.6
[M+NH4]+ 310.212503 183.8
[M+K]+ 331.141838 173.6
[M+H-H2O]+ 275.175940 163.3
[M+HCOO]- 337.176881 185.3
[M+CH3COO]- 351.192531 198.8
[M+Na-2H]- 313.153346 173.8
[M]+ 292.17813142 169.5
[M]- 292.17922858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.