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

97
Patents

254.16304 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 166.8
[M+Na]+ 277.152258 173.0
[M-H]- 253.155764 170.7
[M+NH4]+ 272.196863 176.5
[M+K]+ 293.126198 170.7
[M+H-H2O]+ 237.160300 159.0
[M+HCOO]- 299.161241 181.3
[M+CH3COO]- 313.176891 196.1
[M+Na-2H]- 275.137706 167.8
[M]+ 254.16249142 167.4
[M]- 254.16358858 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