CID 15803487

2-[(carboxymethyl)dimethylazaniumyl]acetate

Structural Information

Molecular Formula
C6H12NO4
SMILES
C[N+](C)(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H11NO4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H-,8,9,10,11)/p+1
InChIKey
YSPQNVWQXQGVIJ-UHFFFAOYSA-O
Compound name
bis(carboxymethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

162.07663 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08391 130.3
[M+Na]+ 185.06585 139.6
[M+NH4]+ 180.11045 137.0
[M+K]+ 201.03979 138.5
[M-H]- 161.06935 129.0
[M+Na-2H]- 183.05130 133.0
[M]+ 162.07608 131.2
[M]- 162.07718 131.2
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