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]+ 104.07061 118.3
[M+Na]+ 126.05255 125.8
[M-H]- 102.05605 118.3
[M+NH4]+ 121.09715 140.9
[M+K]+ 142.02649 126.0
[M+H-H2O]+ 86.060590 113.7
[M+HCOO]- 148.06153 143.8
[M+CH3COO]- 162.07718 168.2
[M+Na-2H]- 124.03800 125.7
[M]+ 103.06278 119.2
[M]- 103.06388 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