CID 53429465

886779-85-7

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)C2CC2
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-13-10(8-14)9-4-5-9/h9-10,13H,4-8H2,1-3H3
InChIKey
HHEGEBMPXPIGCR-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyclopropylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 156.5
[M+Na]+ 249.15734 166.7
[M+NH4]+ 244.20194 163.4
[M+K]+ 265.13128 163.9
[M-H]- 225.16084 163.3
[M+Na-2H]- 247.14279 162.3
[M]+ 226.16757 160.7
[M]- 226.16867 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe