CID 95575

Dl-propargylglycine

Structural Information

Molecular Formula
C5H7NO2
SMILES
C#CCC(C(=O)O)N
InChI
InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
InChIKey
DGYHPLMPMRKMPD-UHFFFAOYSA-N
Compound name
2-aminopent-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

348
References

10271
Patents

113.047676 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 124.5
[M+Na]+ 136.036894 133.0
[M-H]- 112.040400 122.7
[M+NH4]+ 131.081499 143.4
[M+K]+ 152.010834 132.0
[M+H-H2O]+ 96.044936 114.1
[M+HCOO]- 158.045877 140.7
[M+CH3COO]- 172.061527 178.2
[M+Na-2H]- 134.022342 127.5
[M]+ 113.04712742 116.8
[M]- 113.04822458 116.8
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