CID 5310987

2126899-84-9

Structural Information

Molecular Formula
C4H7NO2
SMILES
C(/C=C/C(=O)O)N
InChI
InChI=1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
InChIKey
FMKJUUQOYOHLTF-OWOJBTEDSA-N
Compound name
(E)-4-aminobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

63
References

2572
Patents

101.047676 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.05495 118.7
[M+Na]+ 124.03689 125.9
[M-H]- 100.04040 117.4
[M+NH4]+ 119.08150 140.6
[M+K]+ 140.01083 125.0
[M+H-H2O]+ 84.044936 114.4
[M+HCOO]- 146.04588 141.9
[M+CH3COO]- 160.06153 164.8
[M+Na-2H]- 122.02234 124.1
[M]+ 101.04713 116.2
[M]- 101.04822 116.2
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