CID 16206001

7-octen-2-ol, 2-methyl-6-methylene-, propanoate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(=O)OC(C)(C)CCCC(=C)C=C
InChI
InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(4,5)15-12(14)7-2/h6H,1,3,7-10H2,2,4-5H3
InChIKey
RGLNFSSMFMUBER-UHFFFAOYSA-N
Compound name
(2-methyl-6-methylideneoct-7-en-2-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

210.16199 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 151.8
[M+Na]+ 233.15121 157.2
[M-H]- 209.15471 151.5
[M+NH4]+ 228.19581 170.9
[M+K]+ 249.12515 155.6
[M+H-H2O]+ 193.15925 147.2
[M+HCOO]- 255.16019 171.0
[M+CH3COO]- 269.17584 190.8
[M+Na-2H]- 231.13666 153.7
[M]+ 210.16144 154.8
[M]- 210.16254 154.8
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