CID 12531

Tetradecyl acetate

Structural Information

Molecular Formula
C16H32O2
SMILES
CCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3
InChIKey
IOUUIFSIQMVYKP-UHFFFAOYSA-N
Compound name
tetradecyl acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

1941
Patents

256.24023 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24751 167.9
[M+Na]+ 279.22945 176.3
[M+NH4]+ 274.27405 174.2
[M+K]+ 295.20339 168.7
[M-H]- 255.23295 166.7
[M+Na-2H]- 277.21490 169.1
[M]+ 256.23968 168.5
[M]- 256.24078 168.5
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