CID 26611

Betaine methyl ester bromide

Structural Information

Molecular Formula
C6H14NO2
SMILES
C[N+](C)(C)CC(=O)OC
InChI
InChI=1S/C6H14NO2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3/q+1
InChIKey
HEOCEPWJGJTVPO-UHFFFAOYSA-N
Compound name
(2-methoxy-2-oxoethyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

132.10245 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.10973 123.8
[M+Na]+ 155.09167 131.2
[M-H]- 131.09517 126.2
[M+NH4]+ 150.13627 146.5
[M+K]+ 171.06561 127.5
[M+H-H2O]+ 115.09971 122.5
[M+HCOO]- 177.10065 148.0
[M+CH3COO]- 191.11630 171.3
[M+Na-2H]- 153.07712 133.7
[M]+ 132.10190 125.4
[M]- 132.10300 125.4
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