CID 18316

Tridecyl acrylate

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-16(17)4-2/h4H,2-3,5-15H2,1H3
InChIKey
XOALFFJGWSCQEO-UHFFFAOYSA-N
Compound name
tridecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

15097
Patents

254.22458 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 168.3
[M+Na]+ 277.21380 171.9
[M-H]- 253.21730 166.9
[M+NH4]+ 272.25840 185.6
[M+K]+ 293.18774 169.2
[M+H-H2O]+ 237.22184 162.1
[M+HCOO]- 299.22278 188.8
[M+CH3COO]- 313.23843 199.7
[M+Na-2H]- 275.19925 168.9
[M]+ 254.22403 174.3
[M]- 254.22513 174.3
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