CID 29948224

Tert-butyl n-[3-(piperazin-1-yl)propyl]carbamate

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)NCCCN1CCNCC1
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-5-4-8-15-9-6-13-7-10-15/h13H,4-10H2,1-3H3,(H,14,16)
InChIKey
RYXOGEGCRBIYKR-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-piperazin-1-ylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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 162.2
[M+Na]+ 266.18389 164.5
[M-H]- 242.18739 160.1
[M+NH4]+ 261.22849 175.8
[M+K]+ 282.15783 162.8
[M+H-H2O]+ 226.19193 154.5
[M+HCOO]- 288.19287 176.4
[M+CH3COO]- 302.20852 191.5
[M+Na-2H]- 264.16934 165.3
[M]+ 243.19412 158.1
[M]- 243.19522 158.1
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