CID 102707022

Tert-butyl 3-(1h-imidazol-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=NC=CN2
InChI
InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-7-6-13-9(8-16)10-14-4-5-15-10/h4-5,9,13H,6-8H2,1-3H3,(H,14,15)
InChIKey
XMFBWXVCBATOMM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1H-imidazol-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 163.0
[M+Na]+ 275.14785 167.9
[M-H]- 251.15135 161.1
[M+NH4]+ 270.19245 174.8
[M+K]+ 291.12179 164.5
[M+H-H2O]+ 235.15589 154.1
[M+HCOO]- 297.15683 174.1
[M+CH3COO]- 311.17248 186.8
[M+Na-2H]- 273.13330 164.3
[M]+ 252.15808 157.4
[M]- 252.15918 157.4
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.