CID 3016875

3-(2-aminoethoxy)propan-1-amine

Structural Information

Molecular Formula
C5H14N2O
SMILES
C(CN)COCCN
InChI
InChI=1S/C5H14N2O/c6-2-1-4-8-5-3-7/h1-7H2
InChIKey
XZXVQFFGZKQTJX-UHFFFAOYSA-N
Compound name
3-(2-aminoethoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

118.11061 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.117886 125.2
[M+Na]+ 141.099828 131.1
[M-H]- 117.103334 124.4
[M+NH4]+ 136.144433 146.7
[M+K]+ 157.073768 130.7
[M+H-H2O]+ 101.107870 119.9
[M+HCOO]- 163.108811 150.3
[M+CH3COO]- 177.124461 174.5
[M+Na-2H]- 139.085276 131.1
[M]+ 118.11006142 123.8
[M]- 118.11115858 123.8
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

patents stripe