CID 13012673

(e)-3-aminoacrylaldehyde

Structural Information

Molecular Formula
C3H5NO
SMILES
C(=C/N)\C=O
InChI
InChI=1S/C3H5NO/c4-2-1-3-5/h1-3H,4H2/b2-1+
InChIKey
UCRYVFBKCBUURB-OWOJBTEDSA-N
Compound name
(E)-3-aminoprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

71.03712 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 109.7
[M+Na]+ 94.026338 117.9
[M-H]- 70.029844 110.0
[M+NH4]+ 89.070943 133.6
[M+K]+ 110.00028 117.4
[M+H-H2O]+ 54.034380 105.6
[M+HCOO]- 116.03532 135.5
[M+CH3COO]- 130.05097 161.5
[M+Na-2H]- 92.011786 117.6
[M]+ 71.036571 107.9
[M]- 71.037669 107.9
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