CID 44256535

6e-tridecenyl acetate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCC/C=C/CCCCCOC(=O)C
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h8-9H,3-7,10-14H2,1-2H3/b9-8+
InChIKey
OVDRSYIZCQEBMO-CMDGGOBGSA-N
Compound name
[(E)-tridec-6-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

240.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 164.0
[M+Na]+ 263.19814 168.0
[M-H]- 239.20164 162.8
[M+NH4]+ 258.24274 181.9
[M+K]+ 279.17208 165.7
[M+H-H2O]+ 223.20618 158.0
[M+HCOO]- 285.20712 184.8
[M+CH3COO]- 299.22277 196.0
[M+Na-2H]- 261.18359 165.1
[M]+ 240.20837 169.5
[M]- 240.20947 169.5
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