CID 108831

144156-16-1

Structural Information

Molecular Formula
C5H9NO2
SMILES
C=CCOC(=O)CN
InChI
InChI=1S/C5H9NO2/c1-2-3-8-5(7)4-6/h2H,1,3-4,6H2
InChIKey
PNEADEFBQNPUOW-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

1039
Patents

115.06333 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.9
[M+Na]+ 138.05255 131.9
[M+NH4]+ 133.09715 130.0
[M+K]+ 154.02649 127.5
[M-H]- 114.05605 121.9
[M+Na-2H]- 136.03800 126.0
[M]+ 115.06278 123.4
[M]- 115.06388 123.4
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