CID 21701658

Tert-butyl piperazin-1-ylcarbamate

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(C)(C)OC(=O)NN1CCNCC1
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-12-6-4-10-5-7-12/h10H,4-7H2,1-3H3,(H,11,13)
InChIKey
MHKPBRDUFKYAGW-UHFFFAOYSA-N
Compound name
tert-butyl N-piperazin-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

201.14772 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.154996 148.9
[M+Na]+ 224.136938 152.6
[M-H]- 200.140444 147.4
[M+NH4]+ 219.181543 164.2
[M+K]+ 240.110878 151.6
[M+H-H2O]+ 184.144980 141.8
[M+HCOO]- 246.145921 164.1
[M+CH3COO]- 260.161571 182.5
[M+Na-2H]- 222.122386 153.6
[M]+ 201.14717142 143.7
[M]- 201.14826858 143.7
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