CID 19959454

2-(prop-2-ynamido)acetic acid

Structural Information

Molecular Formula
C5H5NO3
SMILES
C#CC(=O)NCC(=O)O
InChI
InChI=1S/C5H5NO3/c1-2-4(7)6-3-5(8)9/h1H,3H2,(H,6,7)(H,8,9)
InChIKey
NIEHWHFNJMQUMR-UHFFFAOYSA-N
Compound name
2-(prop-2-ynoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

127.02694 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.03422 125.7
[M+Na]+ 150.01616 133.9
[M+NH4]+ 145.06076 128.4
[M+K]+ 165.99010 128.0
[M-H]- 126.01966 115.9
[M+Na-2H]- 148.00161 125.4
[M]+ 127.02639 122.8
[M]- 127.02749 122.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe