CID 21156121

74499-54-0

Structural Information

Molecular Formula
C15H28O2
SMILES
CC(C)CCCC(C)CCOC(=O)CC(=C)C
InChI
InChI=1S/C15H28O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h12,14H,3,6-11H2,1-2,4-5H3
InChIKey
RJCREULMVFPEIA-UHFFFAOYSA-N
Compound name
3,7-dimethyloctyl 3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 164.2
[M+Na]+ 263.19814 167.6
[M-H]- 239.20164 163.3
[M+NH4]+ 258.24274 181.9
[M+K]+ 279.17208 166.6
[M+H-H2O]+ 223.20618 158.6
[M+HCOO]- 285.20712 182.1
[M+CH3COO]- 299.22277 199.2
[M+Na-2H]- 261.18359 161.6
[M]+ 240.20837 167.8
[M]- 240.20947 167.8
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

No patent data available for this compound.