CID 83720622

Tert-butyl n-[2-(piperazin-1-yl)propyl]carbamate

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(CNC(=O)OC(C)(C)C)N1CCNCC1
InChI
InChI=1S/C12H25N3O2/c1-10(15-7-5-13-6-8-15)9-14-11(16)17-12(2,3)4/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKey
BXSWJKNYUSVRQK-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-piperazin-1-ylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 162.0
[M+Na]+ 266.18389 164.1
[M-H]- 242.18739 160.0
[M+NH4]+ 261.22849 175.5
[M+K]+ 282.15783 162.9
[M+H-H2O]+ 226.19193 154.5
[M+HCOO]- 288.19287 175.2
[M+CH3COO]- 302.20852 192.4
[M+Na-2H]- 264.16934 163.9
[M]+ 243.19412 157.3
[M]- 243.19522 157.3
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.