CID 71530921

Tert-butyl (2-(4-(2-aminoethyl)piperazin-1-yl)ethyl)carbamate

Structural Information

Molecular Formula
C13H28N4O2
SMILES
CC(C)(C)OC(=O)NCCN1CCN(CC1)CCN
InChI
InChI=1S/C13H28N4O2/c1-13(2,3)19-12(18)15-5-7-17-10-8-16(6-4-14)9-11-17/h4-11,14H2,1-3H3,(H,15,18)
InChIKey
IPYUZPXPIHQPHS-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.22122 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22850 169.5
[M+Na]+ 295.21044 172.0
[M-H]- 271.21394 168.5
[M+NH4]+ 290.25504 182.4
[M+K]+ 311.18438 170.6
[M+H-H2O]+ 255.21848 161.3
[M+HCOO]- 317.21942 185.4
[M+CH3COO]- 331.23507 202.8
[M+Na-2H]- 293.19589 171.4
[M]+ 272.22067 166.3
[M]- 272.22177 166.3
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.