CID 9866292

Isotridecyl myristate

Structural Information

Molecular Formula
C27H54O2
SMILES
CCCCCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-15-18-21-24-27(28)29-25-22-19-16-13-12-14-17-20-23-26(2)3/h26H,4-25H2,1-3H3
InChIKey
GLXBPZNFNSLJBS-UHFFFAOYSA-N
Compound name
11-methyldodecyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2955
Patents

410.41238 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.41966 220.1
[M+Na]+ 433.40160 218.5
[M-H]- 409.40510 216.5
[M+NH4]+ 428.44620 221.7
[M+K]+ 449.37554 214.0
[M+H-H2O]+ 393.40964 211.7
[M+HCOO]- 455.41058 229.7
[M+CH3COO]- 469.42623 233.7
[M+Na-2H]- 431.38705 213.4
[M]+ 410.41183 230.2
[M]- 410.41293 230.2
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