CID 57483148

Bdl7fft2pu

Structural Information

Molecular Formula
C40H82NO
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC1CO1
InChI
InChI=1S/C40H82NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(3,38-40-39-42-40)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3/q+1
InChIKey
BKKXYGBTZZXEAX-UHFFFAOYSA-N
Compound name
methyl-dioctadecyl-(oxiran-2-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

592.63965 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.64693 283.5
[M+Na]+ 615.62887 291.8
[M-H]- 591.63237 266.5
[M+NH4]+ 610.67347 282.7
[M+K]+ 631.60281 291.0
[M+H-H2O]+ 575.63691 279.1
[M+HCOO]- 637.63785 300.6
[M+CH3COO]- 651.65350 268.5
[M+Na-2H]- 613.61432 266.8
[M]+ 592.63910 290.4
[M]- 592.64020 290.4
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

No patent data available for this compound.