CID 100321

Acryloylglycine

Structural Information

Molecular Formula
C5H7NO3
SMILES
C=CC(=O)NCC(=O)O
InChI
InChI=1S/C5H7NO3/c1-2-4(7)6-3-5(8)9/h2H,1,3H2,(H,6,7)(H,8,9)
InChIKey
LZCXCXDOGAEFQX-UHFFFAOYSA-N
Compound name
2-(prop-2-enoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2553
Patents

129.04259 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 124.4
[M+Na]+ 152.031808 131.2
[M-H]- 128.035314 123.6
[M+NH4]+ 147.076413 145.2
[M+K]+ 168.005748 130.7
[M+H-H2O]+ 112.039850 119.8
[M+HCOO]- 174.040791 147.3
[M+CH3COO]- 188.056441 170.6
[M+Na-2H]- 150.017256 129.1
[M]+ 129.04204142 123.4
[M]- 129.04313858 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