CID 5367738

E-2-octenyl tiglate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCCCC/C=C/COC(=O)/C(=C/C)/C
InChI
InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5,9-10H,4,6-8,11H2,1-3H3/b10-9+,12-5+
InChIKey
GBGKUFKLQQVVGD-AHPNURPESA-N
Compound name
[(E)-oct-2-enyl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 153.6
[M+Na]+ 233.15121 158.6
[M-H]- 209.15471 153.0
[M+NH4]+ 228.19581 172.6
[M+K]+ 249.12515 156.6
[M+H-H2O]+ 193.15925 148.2
[M+HCOO]- 255.16019 174.3
[M+CH3COO]- 269.17584 189.2
[M+Na-2H]- 231.13666 154.5
[M]+ 210.16144 156.8
[M]- 210.16254 156.8
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

No patent data available for this compound.