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 136.1
[M+Na]+ 194.04238 143.6
[M-H]- 170.04588 134.4
[M+NH4]+ 189.08698 152.9
[M+K]+ 210.01632 143.4
[M+H-H2O]+ 154.05042 125.0
[M+HCOO]- 216.05136 152.0
[M+CH3COO]- 230.06701 187.9
[M+Na-2H]- 192.02783 138.0
[M]+ 171.05261 131.4
[M]- 171.05371 131.4
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