CID 3022693

Dotriacontyl methacrylate

Structural Information

Molecular Formula
C36H70O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C36H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-36(37)35(2)3/h2,4-34H2,1,3H3
InChIKey
SHQYAJAWSIGGSP-UHFFFAOYSA-N
Compound name
dotriacontyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

534.5376 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.544876 250.7
[M+Na]+ 557.526818 257.1
[M-H]- 533.530324 233.2
[M+NH4]+ 552.571423 250.9
[M+K]+ 573.500758 258.5
[M+H-H2O]+ 517.534860 250.8
[M+HCOO]- 579.535801 256.2
[M+CH3COO]- 593.551451 258.6
[M+Na-2H]- 555.512266 235.5
[M]+ 534.53705142 251.4
[M]- 534.53814858 251.4
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