CID 69967

Heptadecyl acetate

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h3-18H2,1-2H3
InChIKey
BGBUNTANUVVMIQ-UHFFFAOYSA-N
Compound name
heptadecyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
Patents

298.28717 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.294446 183.7
[M+Na]+ 321.276388 185.7
[M-H]- 297.279894 181.6
[M+NH4]+ 316.320993 199.2
[M+K]+ 337.250328 182.8
[M+H-H2O]+ 281.284430 176.8
[M+HCOO]- 343.285371 202.9
[M+CH3COO]- 357.301021 209.5
[M+Na-2H]- 319.261836 182.5
[M]+ 298.28662142 191.4
[M]- 298.28771858 191.4
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