CID 4461442

4-(4-amino-butyl)-piperazine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCCCN
InChI
InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)16-10-8-15(9-11-16)7-5-4-6-14/h4-11,14H2,1-3H3
InChIKey
ZVLALOSAKAKWTC-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-aminobutyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

257.21033 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 166.5
[M+Na]+ 280.19955 169.9
[M-H]- 256.20305 165.6
[M+NH4]+ 275.24415 180.4
[M+K]+ 296.17349 168.4
[M+H-H2O]+ 240.20759 158.8
[M+HCOO]- 302.20853 181.3
[M+CH3COO]- 316.22418 197.7
[M+Na-2H]- 278.18500 167.9
[M]+ 257.20978 164.1
[M]- 257.21088 164.1
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