CID 3034258

16669-27-5

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26(27)25(2)3/h2,4-24H2,1,3H3
InChIKey
OCDWICPYKQMQSQ-UHFFFAOYSA-N
Compound name
docosyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3117
Patents

394.38107 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 213.8
[M+Na]+ 417.37029 213.0
[M-H]- 393.37379 210.5
[M+NH4]+ 412.41489 215.5
[M+K]+ 433.34423 208.1
[M+H-H2O]+ 377.37833 205.7
[M+HCOO]- 439.37927 224.3
[M+CH3COO]- 453.39492 230.0
[M+Na-2H]- 415.35574 207.7
[M]+ 394.38052 222.8
[M]- 394.38162 222.8
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