CID 110257786

1381089-07-1

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=CC(=CC=C2)C(=O)OC
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-9-8-18-14(11-19)12-6-5-7-13(10-12)15(20)22-4/h5-7,10,14,18H,8-9,11H2,1-4H3
InChIKey
IOVBCRIVGZSYMM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-methoxycarbonylphenyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 177.1
[M+Na]+ 343.16282 181.1
[M-H]- 319.16632 178.9
[M+NH4]+ 338.20742 187.8
[M+K]+ 359.13676 178.8
[M+H-H2O]+ 303.17086 168.6
[M+HCOO]- 365.17180 189.7
[M+CH3COO]- 379.18745 203.4
[M+Na-2H]- 341.14827 177.7
[M]+ 320.17305 175.3
[M]- 320.17415 175.3
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.