CID 5280505

Latia luciferin

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=C(C(CCC1)(C)C)CC/C(=C/OC=O)/C
InChI
InChI=1S/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3/b12-10+
InChIKey
MJURCEOLOMHLAX-ZRDIBKRKSA-N
Compound name
[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-1-enyl] formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

144
Patents

236.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 155.9
[M+Na]+ 259.16685 162.0
[M-H]- 235.17035 159.0
[M+NH4]+ 254.21145 176.2
[M+K]+ 275.14079 159.7
[M+H-H2O]+ 219.17489 150.9
[M+HCOO]- 281.17583 175.5
[M+CH3COO]- 295.19148 194.5
[M+Na-2H]- 257.15230 157.8
[M]+ 236.17708 157.1
[M]- 236.17818 157.1
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