CID 363

2-aminoacetaldehyde

Structural Information

Molecular Formula
C2H5NO
SMILES
C(C=O)N
InChI
InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2
InChIKey
LYIIBVSRGJSHAV-UHFFFAOYSA-N
Compound name
2-aminoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

325
References

16572
Patents

59.037113 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 60.044389 106.3
[M+Na]+ 82.026331 114.6
[M-H]- 58.029837 106.7
[M+NH4]+ 77.070936 130.7
[M+K]+ 98.000271 114.9
[M+H-H2O]+ 42.034373 102.3
[M+HCOO]- 104.03531 132.2
[M+CH3COO]- 118.05096 160.1
[M+Na-2H]- 80.011779 114.7
[M]+ 59.036564 104.9
[M]- 59.037662 104.9
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