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 129.0
[M+Na]+ 185.06585 135.4
[M-H]- 161.06935 128.5
[M+NH4]+ 180.11045 148.6
[M+K]+ 201.03979 130.4
[M+H-H2O]+ 145.07389 127.7
[M+HCOO]- 207.07483 149.8
[M+CH3COO]- 221.09048 170.1
[M+Na-2H]- 183.05130 136.8
[M]+ 162.07608 128.3
[M]- 162.07718 128.3
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