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

218
Patents

201.14772 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15500 148.9
[M+Na]+ 224.13694 152.6
[M-H]- 200.14044 147.4
[M+NH4]+ 219.18154 164.2
[M+K]+ 240.11088 151.6
[M+H-H2O]+ 184.14498 141.8
[M+HCOO]- 246.14592 164.1
[M+CH3COO]- 260.16157 182.5
[M+Na-2H]- 222.12239 153.6
[M]+ 201.14717 143.7
[M]- 201.14827 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