CID 13990525

Oct-7-enyl acetate

Structural Information

Molecular Formula
C10H18O2
SMILES
CC(=O)OCCCCCCC=C
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3H,1,4-9H2,2H3
InChIKey
DBRVFNFZYZFKRC-UHFFFAOYSA-N
Compound name
oct-7-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

170.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 140.7
[M+Na]+ 193.11990 146.7
[M-H]- 169.12340 140.5
[M+NH4]+ 188.16450 161.3
[M+K]+ 209.09384 145.7
[M+H-H2O]+ 153.12794 135.7
[M+HCOO]- 215.12888 163.1
[M+CH3COO]- 229.14453 181.6
[M+Na-2H]- 191.10535 144.5
[M]+ 170.13013 144.3
[M]- 170.13123 144.3
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