CID 14044

Dl-allylglycine

Structural Information

Molecular Formula
C5H9NO2
SMILES
C=CCC(C(=O)O)N
InChI
InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)
InChIKey
WNNNWFKQCKFSDK-UHFFFAOYSA-N
Compound name
2-aminopent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

157
References

7531
Patents

115.06333 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.6
[M+Na]+ 138.05255 131.7
[M+NH4]+ 133.09715 130.2
[M+K]+ 154.02649 128.4
[M-H]- 114.05605 121.8
[M+Na-2H]- 136.03800 125.7
[M]+ 115.06278 123.7
[M]- 115.06388 123.7
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

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