CID 4638357

Myristyl behenate

Structural Information

Molecular Formula
C36H72O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
AVKVDDQTHIQFSC-UHFFFAOYSA-N
Compound name
tetradecyl docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3533
Patents

536.5532 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.56048 254.3
[M+Na]+ 559.54242 259.7
[M-H]- 535.54592 234.5
[M+NH4]+ 554.58702 252.7
[M+K]+ 575.51636 260.9
[M+H-H2O]+ 519.55046 253.8
[M+HCOO]- 581.55140 261.4
[M+CH3COO]- 595.56705 258.6
[M+Na-2H]- 557.52787 237.9
[M]+ 536.55265 255.1
[M]- 536.55375 255.1
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