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]+ 253.165906 163.0
[M+Na]+ 275.147848 167.9
[M-H]- 251.151354 161.1
[M+NH4]+ 270.192453 174.8
[M+K]+ 291.121788 164.5
[M+H-H2O]+ 235.155890 154.1
[M+HCOO]- 297.156831 174.1
[M+CH3COO]- 311.172481 186.8
[M+Na-2H]- 273.133296 164.3
[M]+ 252.15808142 157.4
[M]- 252.15917858 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.