CID 168887

Oxibetaine

Structural Information

Molecular Formula
C6H14NO3
SMILES
C[N+](C)(CCO)CC(=O)O
InChI
InChI=1S/C6H13NO3/c1-7(2,3-4-8)5-6(9)10/h8H,3-5H2,1-2H3/p+1
InChIKey
GENAXZSZPRLQRB-UHFFFAOYSA-O
Compound name
carboxymethyl-(2-hydroxyethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

148.09737 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.104646 128.0
[M+Na]+ 171.086588 134.4
[M-H]- 147.090094 127.4
[M+NH4]+ 166.131193 148.4
[M+K]+ 187.060528 129.1
[M+H-H2O]+ 131.094630 126.8
[M+HCOO]- 193.095571 149.3
[M+CH3COO]- 207.111221 168.3
[M+Na-2H]- 169.072036 136.9
[M]+ 148.09682142 127.2
[M]- 148.09791858 127.2
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