CID 20165019

2-[(carboxymethyl)(prop-2-yn-1-yl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula
C7H9NO4
SMILES
C#CCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C7H9NO4/c1-2-3-8(4-6(9)10)5-7(11)12/h1H,3-5H2,(H,9,10)(H,11,12)
InChIKey
PJZLRSBZQYZNOL-UHFFFAOYSA-N
Compound name
2-[carboxymethyl(prop-2-ynyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

171.05316 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06044 135.7
[M+Na]+ 194.04238 142.8
[M+NH4]+ 189.08698 137.5
[M+K]+ 210.01632 137.7
[M-H]- 170.04588 125.2
[M+Na-2H]- 192.02783 134.2
[M]+ 171.05261 132.3
[M]- 171.05371 132.3
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