CID 44144800

93839-05-5

Structural Information

Molecular Formula
C28H52O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1C(C2CCC1(C2)C)(C)C
InChI
InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-26-27(2,3)24-21-22-28(26,4)23-24/h24,26H,5-23H2,1-4H3
InChIKey
MSCSYRZMJVLHSI-UHFFFAOYSA-N
Compound name
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.39673 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.404006 218.3
[M+Na]+ 443.385948 219.8
[M-H]- 419.389454 218.2
[M+NH4]+ 438.430553 237.8
[M+K]+ 459.359888 214.0
[M+H-H2O]+ 403.393990 213.1
[M+HCOO]- 465.394931 232.5
[M+CH3COO]- 479.410581 232.2
[M+Na-2H]- 441.371396 212.8
[M]+ 420.39618142 225.3
[M]- 420.39727858 225.3
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

No patent data available for this compound.