CID 129987453

Tert-butyl n-{3-[(2-aminoethyl)carbamoyl]propyl}carbamate

Structural Information

Molecular Formula
C11H23N3O3
SMILES
CC(C)(C)OC(=O)NCCCC(=O)NCCN
InChI
InChI=1S/C11H23N3O3/c1-11(2,3)17-10(16)14-7-4-5-9(15)13-8-6-12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
UOLDFFQZOWSCCG-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2-aminoethylamino)-4-oxobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.17393 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.181206 160.3
[M+Na]+ 268.163148 163.5
[M-H]- 244.166654 159.5
[M+NH4]+ 263.207753 176.6
[M+K]+ 284.137088 163.4
[M+H-H2O]+ 228.171190 153.9
[M+HCOO]- 290.172131 182.5
[M+CH3COO]- 304.187781 200.2
[M+Na-2H]- 266.148596 162.7
[M]+ 245.17338142 160.7
[M]- 245.17447858 160.7
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