CID 130589118

Tert-butyl n-{2-[(2-aminoethyl)amino]ethyl}-n-methylcarbamate

Structural Information

Molecular Formula
C10H23N3O2
SMILES
CC(C)(C)OC(=O)N(C)CCNCCN
InChI
InChI=1S/C10H23N3O2/c1-10(2,3)15-9(14)13(4)8-7-12-6-5-11/h12H,5-8,11H2,1-4H3
InChIKey
FMJJSFUGQQROKO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-aminoethylamino)ethyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.17903 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.18631 154.4
[M+Na]+ 240.16825 158.1
[M-H]- 216.17175 155.1
[M+NH4]+ 235.21285 172.6
[M+K]+ 256.14219 159.2
[M+H-H2O]+ 200.17629 148.1
[M+HCOO]- 262.17723 177.9
[M+CH3COO]- 276.19288 199.1
[M+Na-2H]- 238.15370 157.6
[M]+ 217.17848 155.6
[M]- 217.17958 155.6
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