CID 134812243

22-methyl-tricosanyl oleate

Structural Information

Molecular Formula
C42H82O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C42H82O2/c1-4-5-6-7-8-9-10-11-17-21-24-27-30-33-36-39-42(43)44-40-37-34-31-28-25-22-19-16-14-12-13-15-18-20-23-26-29-32-35-38-41(2)3/h11,17,41H,4-10,12-16,18-40H2,1-3H3/b17-11-
InChIKey
MOZCHVZSICFLHF-BOPFTXTBSA-N
Compound name
22-methyltricosyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

618.6315 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.63878 271.7
[M+Na]+ 641.62072 277.2
[M-H]- 617.62422 252.0
[M+NH4]+ 636.66532 271.8
[M+K]+ 657.59466 280.9
[M+H-H2O]+ 601.62876 271.1
[M+HCOO]- 663.62970 275.1
[M+CH3COO]- 677.64535 274.6
[M+Na-2H]- 639.60617 253.9
[M]+ 618.63095 271.9
[M]- 618.63205 271.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe