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]+ 293.18596 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.