CID 13847850

Isooctadecyl acrylate

Structural Information

Molecular Formula
C21H40O2
SMILES
CC(C)CCCCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C21H40O2/c1-4-21(22)23-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20(2)3/h4,20H,1,5-19H2,2-3H3
InChIKey
STFXXRRQKFUYEU-UHFFFAOYSA-N
Compound name
16-methylheptadecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8126
Patents

324.30283 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.310106 191.6
[M+Na]+ 347.292048 192.8
[M-H]- 323.295554 189.3
[M+NH4]+ 342.336653 205.9
[M+K]+ 363.265988 189.3
[M+H-H2O]+ 307.300090 184.5
[M+HCOO]- 369.301031 209.3
[M+CH3COO]- 383.316681 215.3
[M+Na-2H]- 345.277496 188.2
[M]+ 324.30228142 198.7
[M]- 324.30337858 198.7
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