CID 130976085

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

Structural Information

Molecular Formula
C10H21N3O3
SMILES
CC(C)(C)OC(=O)NCCC(=O)NCCN
InChI
InChI=1S/C10H21N3O3/c1-10(2,3)16-9(15)13-6-4-8(14)12-7-5-11/h4-7,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKey
RRFAKLOXCPMYJG-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-aminoethylamino)-3-oxopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1583 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.165576 155.8
[M+Na]+ 254.147518 159.4
[M-H]- 230.151024 155.2
[M+NH4]+ 249.192123 172.7
[M+K]+ 270.121458 159.5
[M+H-H2O]+ 214.155560 149.6
[M+HCOO]- 276.156501 178.3
[M+CH3COO]- 290.172151 197.2
[M+Na-2H]- 252.132966 158.7
[M]+ 231.15775142 155.8
[M]- 231.15884858 155.8
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.