CID 50986503

Tert-butyl n-[4-oxo-4-(piperazin-1-yl)butyl]carbamate

Structural Information

Molecular Formula
C13H25N3O3
SMILES
CC(C)(C)OC(=O)NCCCC(=O)N1CCNCC1
InChI
InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)15-6-4-5-11(17)16-9-7-14-8-10-16/h14H,4-10H2,1-3H3,(H,15,18)
InChIKey
RDRJEKGXODGJMC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-oxo-4-piperazin-1-ylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1896 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.196876 167.9
[M+Na]+ 294.178818 169.8
[M-H]- 270.182324 165.8
[M+NH4]+ 289.223423 180.2
[M+K]+ 310.152758 168.4
[M+H-H2O]+ 254.186860 160.2
[M+HCOO]- 316.187801 181.2
[M+CH3COO]- 330.203451 196.1
[M+Na-2H]- 292.164266 169.5
[M]+ 271.18905142 164.2
[M]- 271.19014858 164.2
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.