CID 165951301

2694728-69-1

Structural Information

Molecular Formula
C11H25N3O2
SMILES
CC(C)(C)OC(=O)NCCCN(C)CCN
InChI
InChI=1S/C11H25N3O2/c1-11(2,3)16-10(15)13-7-5-8-14(4)9-6-12/h5-9,12H2,1-4H3,(H,13,15)
InChIKey
JGZDMHSVTXQYTR-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[2-aminoethyl(methyl)amino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.19467 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20195 158.9
[M+Na]+ 254.18389 162.3
[M-H]- 230.18739 159.5
[M+NH4]+ 249.22849 176.6
[M+K]+ 270.15783 163.1
[M+H-H2O]+ 214.19193 152.4
[M+HCOO]- 276.19287 182.1
[M+CH3COO]- 290.20852 202.2
[M+Na-2H]- 252.16934 161.6
[M]+ 231.19412 160.6
[M]- 231.19522 160.6
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

No patent data available for this compound.