CID 968936

414910-15-9

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CC2
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-6-14(7-9-15)11(16)10-4-5-10/h10H,4-9H2,1-3H3
InChIKey
IREXWNMKXDFMFW-UHFFFAOYSA-N
Compound name
tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 166.8
[M+Na]+ 277.15226 173.0
[M-H]- 253.15576 170.7
[M+NH4]+ 272.19686 176.5
[M+K]+ 293.12620 170.7
[M+H-H2O]+ 237.16030 159.0
[M+HCOO]- 299.16124 181.3
[M+CH3COO]- 313.17689 196.1
[M+Na-2H]- 275.13771 167.8
[M]+ 254.16249 167.4
[M]- 254.16359 167.4
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

patents stripe