CID 90697

Dilaurylmethylbetaine

Structural Information

Molecular Formula
C27H56NO2
SMILES
CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CC(=O)O
InChI
InChI=1S/C27H55NO2/c1-4-6-8-10-12-14-16-18-20-22-24-28(3,26-27(29)30)25-23-21-19-17-15-13-11-9-7-5-2/h4-26H2,1-3H3/p+1
InChIKey
SENWRKVQPDECGF-UHFFFAOYSA-O
Compound name
carboxymethyl-didodecyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

426.4311 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.43838 217.6
[M+Na]+ 449.42032 224.4
[M+NH4]+ 444.46492 196.4
[M+K]+ 465.39426 237.4
[M-H]- 425.42382 217.4
[M+Na-2H]- 447.40577 216.9
[M]+ 426.43055 218.6
[M]- 426.43165 218.6
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