CID 23269900

9e-tridecenyl acetate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCC/C=C/CCCCCCCCOC(=O)C
InChI
InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h5-6H,3-4,7-14H2,1-2H3/b6-5+
InChIKey
PVRUEVOAFHHKRC-AATRIKPKSA-N
Compound name
[(E)-tridec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
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

No literature data available for this compound.

Patent stripe

patents stripe