CID 22352663

Isostearyl laurdimonium chloride

Structural Information

Molecular Formula
C32H68N
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C32H68N/c1-6-7-8-9-10-11-18-21-24-27-30-33(4,5)31-28-25-22-19-16-14-12-13-15-17-20-23-26-29-32(2)3/h32H,6-31H2,1-5H3/q+1
InChIKey
FEQNCOYZODXWKS-UHFFFAOYSA-N
Compound name
dodecyl-dimethyl-(16-methylheptadecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

325
Patents

466.5352 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.54248 254.8
[M+Na]+ 489.52442 261.6
[M-H]- 465.52792 239.8
[M+NH4]+ 484.56902 253.4
[M+K]+ 505.49836 260.5
[M+H-H2O]+ 449.53246 232.7
[M+HCOO]- 511.53340 266.1
[M+CH3COO]- 525.54905 247.2
[M+Na-2H]- 487.50987 239.6
[M]+ 466.53465 255.3
[M]- 466.53575 255.3
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