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]+ 272.19688 167.9
[M+Na]+ 294.17882 169.8
[M-H]- 270.18232 165.8
[M+NH4]+ 289.22342 180.2
[M+K]+ 310.15276 168.4
[M+H-H2O]+ 254.18686 160.2
[M+HCOO]- 316.18780 181.2
[M+CH3COO]- 330.20345 196.1
[M+Na-2H]- 292.16427 169.5
[M]+ 271.18905 164.2
[M]- 271.19015 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.