CID 25181288

2-(2-aminoethoxy)acetaldehyde

Structural Information

Molecular Formula
C4H9NO2
SMILES
C(COCC=O)N
InChI
InChI=1S/C4H9NO2/c5-1-3-7-4-2-6/h2H,1,3-5H2
InChIKey
JKAJSVFYWNIQEL-UHFFFAOYSA-N
Compound name
2-(2-aminoethoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

121
Patents

103.06333 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 118.3
[M+Na]+ 126.052548 125.8
[M-H]- 102.056054 118.3
[M+NH4]+ 121.097153 140.9
[M+K]+ 142.026488 126.0
[M+H-H2O]+ 86.060590 113.7
[M+HCOO]- 148.061531 143.8
[M+CH3COO]- 162.077181 168.2
[M+Na-2H]- 124.037996 125.7
[M]+ 103.06278142 119.2
[M]- 103.06387858 119.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe