CID 16541

Decyl acrylate

Structural Information

Molecular Formula
C13H24O2
SMILES
CCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3
InChIKey
FWLDHHJLVGRRHD-UHFFFAOYSA-N
Compound name
decyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

0
References

44516
Patents

212.17763 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 154.6
[M+Na]+ 235.166848 159.4
[M-H]- 211.170354 153.8
[M+NH4]+ 230.211453 173.5
[M+K]+ 251.140788 157.5
[M+H-H2O]+ 195.174890 149.0
[M+HCOO]- 257.175831 176.0
[M+CH3COO]- 271.191481 190.7
[M+Na-2H]- 233.152296 156.8
[M]+ 212.17708142 159.4
[M]- 212.17817858 159.4
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