CID 44148151

2-methyl-6-methylene-2-octyl propionate

Structural Information

Molecular Formula
C13H24O2
SMILES
CCC(=C)CCCC(C)(C)OC(=O)CC
InChI
InChI=1S/C13H24O2/c1-6-11(3)9-8-10-13(4,5)15-12(14)7-2/h3,6-10H2,1-2,4-5H3
InChIKey
TYPHWLKITZTPGB-UHFFFAOYSA-N
Compound name
(2-methyl-6-methylideneoctan-2-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.17763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 153.6
[M+Na]+ 235.166848 158.8
[M-H]- 211.170354 153.3
[M+NH4]+ 230.211453 172.7
[M+K]+ 251.140788 157.8
[M+H-H2O]+ 195.174890 148.9
[M+HCOO]- 257.175831 172.6
[M+CH3COO]- 271.191481 191.7
[M+Na-2H]- 233.152296 155.4
[M]+ 212.17708142 157.4
[M]- 212.17817858 157.4
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