CID 102555143

1702031-71-7

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]+ 267.181576 166.9
[M+Na]+ 289.163518 172.7
[M-H]- 265.167024 166.6
[M+NH4]+ 284.208123 179.2
[M+K]+ 305.137458 170.0
[M+H-H2O]+ 249.171560 158.0
[M+HCOO]- 311.172501 179.2
[M+CH3COO]- 325.188151 193.4
[M+Na-2H]- 287.148966 167.5
[M]+ 266.17375142 163.9
[M]- 266.17484858 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.