CID 56936012

3-methylene-7-methyl-7-octenyl propionate

Structural Information

Molecular Formula
C13H24O2
SMILES
CCC(=O)OCCC(=C)CCCC(C)C
InChI
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h11H,4-10H2,1-3H3
InChIKey
HZTKMMXHERVWFC-UHFFFAOYSA-N
Compound name
(7-methyl-3-methylideneoctyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

212.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 155.0
[M+Na]+ 235.16685 159.4
[M-H]- 211.17035 154.4
[M+NH4]+ 230.21145 173.9
[M+K]+ 251.14079 158.5
[M+H-H2O]+ 195.17489 149.6
[M+HCOO]- 257.17583 174.5
[M+CH3COO]- 271.19148 192.3
[M+Na-2H]- 233.15230 154.7
[M]+ 212.17708 158.5
[M]- 212.17818 158.5
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