CID 480911

(cyclododecyloxymethyl)dodecyldimethylamine, chloride

Structural Information

Molecular Formula
C27H56NO
SMILES
CCCCCCCCCCCC[N+](C)(C)COC1CCCCCCCCCCC1
InChI
InChI=1S/C27H56NO/c1-4-5-6-7-8-9-13-16-19-22-25-28(2,3)26-29-27-23-20-17-14-11-10-12-15-18-21-24-27/h27H,4-26H2,1-3H3/q+1
InChIKey
KTLHWSJKJQMITG-UHFFFAOYSA-N
Compound name
cyclododecyloxymethyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.4362 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.44348 210.3
[M+Na]+ 433.42542 205.7
[M-H]- 409.42892 208.9
[M+NH4]+ 428.47002 218.1
[M+K]+ 449.39936 197.5
[M+H-H2O]+ 393.43346 207.4
[M+HCOO]- 455.43440 222.5
[M+CH3COO]- 469.45005 221.9
[M+Na-2H]- 431.41087 208.6
[M]+ 410.43565 204.5
[M]- 410.43675 204.5
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.