CID 76651

N-allylglycine

Structural Information

Molecular Formula
C5H9NO2
SMILES
C=CCNCC(=O)O
InChI
InChI=1S/C5H9NO2/c1-2-3-6-4-5(7)8/h2,6H,1,3-4H2,(H,7,8)
InChIKey
YVWGGGZYGSZDKW-UHFFFAOYSA-N
Compound name
2-(prop-2-enylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7381
Patents

115.06333 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.6
[M+Na]+ 138.05255 129.2
[M-H]- 114.05605 121.6
[M+NH4]+ 133.09715 144.1
[M+K]+ 154.02649 128.4
[M+H-H2O]+ 98.060590 118.0
[M+HCOO]- 160.06153 146.1
[M+CH3COO]- 174.07718 169.2
[M+Na-2H]- 136.03800 128.6
[M]+ 115.06278 121.5
[M]- 115.06388 121.5
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