CID 51059950

1-(benzyloxy)-n,n,n-trimethyl-1-oxo-2-dodecanaminium bromide

Structural Information

Molecular Formula
C22H38NO2
SMILES
CCCCCCCCCCC(C(=O)OCC1=CC=CC=C1)[N+](C)(C)C
InChI
InChI=1S/C22H38NO2/c1-5-6-7-8-9-10-11-15-18-21(23(2,3)4)22(24)25-19-20-16-13-12-14-17-20/h12-14,16-17,21H,5-11,15,18-19H2,1-4H3/q+1
InChIKey
RXCBGONWLBEHJY-UHFFFAOYSA-N
Compound name
trimethyl-(1-oxo-1-phenylmethoxydodecan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.29025 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.29753 193.2
[M+Na]+ 371.27947 194.7
[M-H]- 347.28297 196.3
[M+NH4]+ 366.32407 206.6
[M+K]+ 387.25341 186.5
[M+H-H2O]+ 331.28751 187.9
[M+HCOO]- 393.28845 212.5
[M+CH3COO]- 407.30410 215.5
[M+Na-2H]- 369.26492 195.8
[M]+ 348.28970 197.5
[M]- 348.29080 197.5
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

No patent data available for this compound.