CID 25198369

2-ethoxypropane-1,3-diamine

Structural Information

Molecular Formula
C5H14N2O
SMILES
CCOC(CN)CN
InChI
InChI=1S/C5H14N2O/c1-2-8-5(3-6)4-7/h5H,2-4,6-7H2,1H3
InChIKey
LHYPCRYZSCFULV-UHFFFAOYSA-N
Compound name
2-ethoxypropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
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 126.5
[M+Na]+ 141.099828 132.1
[M-H]- 117.103334 125.7
[M+NH4]+ 136.144433 147.9
[M+K]+ 157.073768 132.2
[M+H-H2O]+ 101.107870 121.2
[M+HCOO]- 163.108811 150.5
[M+CH3COO]- 177.124461 175.3
[M+Na-2H]- 139.085276 130.9
[M]+ 118.11006142 124.4
[M]- 118.11115858 124.4
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