CID 14044

7685-44-1

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

8615
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 130.1
[M-H]- 114.05605 122.2
[M+NH4]+ 133.09715 144.8
[M+K]+ 154.02649 129.3
[M+H-H2O]+ 98.060590 119.1
[M+HCOO]- 160.06153 145.4
[M+CH3COO]- 174.07718 169.4
[M+Na-2H]- 136.03800 127.2
[M]+ 115.06278 120.8
[M]- 115.06388 120.8
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