CID 89480

21280-30-8

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=CCCC1=CCC(CC1)(C)C(=O)OC)C
InChI
InChI=1S/C15H24O2/c1-12(2)6-5-7-13-8-10-15(3,11-9-13)14(16)17-4/h6,8H,5,7,9-11H2,1-4H3
InChIKey
GEIXAIBGXQKPFP-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 157.6
[M+Na]+ 259.16685 162.5
[M-H]- 235.17035 160.4
[M+NH4]+ 254.21145 177.5
[M+K]+ 275.14079 160.7
[M+H-H2O]+ 219.17489 152.4
[M+HCOO]- 281.17583 176.2
[M+CH3COO]- 295.19148 193.5
[M+Na-2H]- 257.15230 158.7
[M]+ 236.17708 157.6
[M]- 236.17818 157.6
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.