CID 88984

Tetradecyl acrylate

Structural Information

Molecular Formula
C17H32O2
SMILES
CCCCCCCCCCCCCCOC(=O)C=C
InChI
InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3
InChIKey
XZHNPVKXBNDGJD-UHFFFAOYSA-N
Compound name
tetradecyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8975
Patents

268.24023 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.247506 172.9
[M+Na]+ 291.229448 176.0
[M-H]- 267.232954 171.3
[M+NH4]+ 286.274053 189.5
[M+K]+ 307.203388 173.1
[M+H-H2O]+ 251.237490 166.4
[M+HCOO]- 313.238431 193.0
[M+CH3COO]- 327.254081 202.7
[M+Na-2H]- 289.214896 172.9
[M]+ 268.23968142 179.2
[M]- 268.24077858 179.2
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