CID 543354

Undec-10-en-1-yl acrylate

Structural Information

Molecular Formula
C14H24O2
SMILES
C=CCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-4H,1-2,5-13H2
InChIKey
YXTYHLWOJXBERN-UHFFFAOYSA-N
Compound name
undec-10-enyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

224.17763 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 157.4
[M+Na]+ 247.16685 162.1
[M-H]- 223.17035 156.4
[M+NH4]+ 242.21145 175.8
[M+K]+ 263.14079 159.4
[M+H-H2O]+ 207.17489 151.7
[M+HCOO]- 269.17583 178.7
[M+CH3COO]- 283.19148 192.8
[M+Na-2H]- 245.15230 159.1
[M]+ 224.17708 161.9
[M]- 224.17818 161.9
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