CID 22709332

2-decyltetradecyl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C28H54O2
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)C(=C)C
InChI
InChI=1S/C28H54O2/c1-5-7-9-11-13-15-16-18-20-22-24-27(25-30-28(29)26(3)4)23-21-19-17-14-12-10-8-6-2/h27H,3,5-25H2,1-2,4H3
InChIKey
TXTFQNBIGUTDSM-UHFFFAOYSA-N
Compound name
2-decyltetradecyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

255
Patents

422.41238 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 223.3
[M+Na]+ 445.40160 221.4
[M-H]- 421.40510 219.6
[M+NH4]+ 440.44620 223.7
[M+K]+ 461.37554 216.5
[M+H-H2O]+ 405.40964 215.0
[M+HCOO]- 467.41058 227.9
[M+CH3COO]- 481.42623 236.5
[M+Na-2H]- 443.38705 214.9
[M]+ 422.41183 232.4
[M]- 422.41293 232.4
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