CID 11264867

Lavandulyl senecioate

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=CC[C@H](COC(=O)C=C(C)C)C(=C)C)C
InChI
InChI=1S/C15H24O2/c1-11(2)7-8-14(13(5)6)10-17-15(16)9-12(3)4/h7,9,14H,5,8,10H2,1-4,6H3/t14-/m1/s1
InChIKey
STLUIDJQVVNOAV-CQSZACIVSA-N
Compound name
[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl] 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

883
Patents

236.17763 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 160.1
[M+Na]+ 259.16685 164.2
[M-H]- 235.17035 159.6
[M+NH4]+ 254.21145 177.9
[M+K]+ 275.14079 162.4
[M+H-H2O]+ 219.17489 155.0
[M+HCOO]- 281.17583 177.5
[M+CH3COO]- 295.19148 196.9
[M+Na-2H]- 257.15230 156.6
[M]+ 236.17708 161.6
[M]- 236.17818 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe