CID 102555143

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

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2=NC=CN2C
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-8-6-14-10(9-17)11-15-5-7-16(11)4/h5,7,10,14H,6,8-9H2,1-4H3
InChIKey
QOYZRQSWXCLPIO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-methylimidazol-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1743 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18158 166.9
[M+Na]+ 289.16352 172.7
[M-H]- 265.16702 166.6
[M+NH4]+ 284.20812 179.2
[M+K]+ 305.13746 170.0
[M+H-H2O]+ 249.17156 158.0
[M+HCOO]- 311.17250 179.2
[M+CH3COO]- 325.18815 193.4
[M+Na-2H]- 287.14897 167.5
[M]+ 266.17375 163.9
[M]- 266.17485 163.9
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.