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

3199
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 122.4
[M+Na]+ 138.05255 129.6
[M-H]- 114.05605 122.5
[M+NH4]+ 133.09715 144.5
[M+K]+ 154.02649 129.4
[M+H-H2O]+ 98.060590 117.8
[M+HCOO]- 160.06153 146.9
[M+CH3COO]- 174.07718 170.5
[M+Na-2H]- 136.03800 127.9
[M]+ 115.06278 122.3
[M]- 115.06388 122.3
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