CID 17750945

1-tert-butyloxycarbonyl-4-(3-aminopropyl)piperazine

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCN
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)15-9-7-14(8-10-15)6-4-5-13/h4-10,13H2,1-3H3
InChIKey
DQLCYLFCLQPLSY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-aminopropyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

297
Patents

243.19467 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 162.1
[M+Na]+ 266.18389 165.9
[M-H]- 242.18739 161.3
[M+NH4]+ 261.22849 176.5
[M+K]+ 282.15783 164.7
[M+H-H2O]+ 226.19193 154.5
[M+HCOO]- 288.19287 177.2
[M+CH3COO]- 302.20852 194.6
[M+Na-2H]- 264.16934 163.9
[M]+ 243.19412 159.3
[M]- 243.19522 159.3
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

patents stripe