CID 114601

3-methylbutyl undec-6-enoate

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCCC=CCCCCC(=O)OCCC(C)C
InChI
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h7-8,15H,4-6,9-14H2,1-3H3
InChIKey
YAPZGQNSTVDGJX-UHFFFAOYSA-N
Compound name
3-methylbutyl undec-6-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

90
Patents

254.22458 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 167.5
[M+Na]+ 277.21380 175.6
[M+NH4]+ 272.25840 173.3
[M+K]+ 293.18774 168.7
[M-H]- 253.21730 165.8
[M+Na-2H]- 275.19925 168.2
[M]+ 254.22403 167.8
[M]- 254.22513 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.