CID 146049097

2411286-50-3

Structural Information

Molecular Formula
C10H22N2O2
SMILES
CC(C)(C)OC(=O)CCN(C)CCN
InChI
InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)5-7-12(4)8-6-11/h5-8,11H2,1-4H3
InChIKey
ONBDLQYPEBXVGI-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-aminoethyl(methyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.16812 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17540 150.5
[M+Na]+ 225.15734 155.2
[M-H]- 201.16084 151.4
[M+NH4]+ 220.20194 169.8
[M+K]+ 241.13128 156.1
[M+H-H2O]+ 185.16538 144.9
[M+HCOO]- 247.16632 173.1
[M+CH3COO]- 261.18197 194.7
[M+Na-2H]- 223.14279 153.5
[M]+ 202.16757 152.8
[M]- 202.16867 152.8
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.