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

5
Patents

171.05316 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.060436 136.1
[M+Na]+ 194.042378 143.6
[M-H]- 170.045884 134.4
[M+NH4]+ 189.086983 152.9
[M+K]+ 210.016318 143.4
[M+H-H2O]+ 154.050420 125.0
[M+HCOO]- 216.051361 152.0
[M+CH3COO]- 230.067011 187.9
[M+Na-2H]- 192.027826 138.0
[M]+ 171.05261142 131.4
[M]- 171.05370858 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