CID 6437242

2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)pent-2-enyl butyrate

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCC(=O)OC/C(=C/CCC1(C2CCC(C2)C1=C)C)/C
InChI
InChI=1S/C19H30O2/c1-5-7-18(20)21-13-14(2)8-6-11-19(4)15(3)16-9-10-17(19)12-16/h8,16-17H,3,5-7,9-13H2,1-2,4H3/b14-8+
InChIKey
JBONJDLTGVVYHE-RIYZIHGNSA-N
Compound name
[(E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-enyl] butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

290.22458 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 178.8
[M+Na]+ 313.213798 183.5
[M-H]- 289.217304 180.4
[M+NH4]+ 308.258403 201.6
[M+K]+ 329.187738 179.3
[M+H-H2O]+ 273.221840 174.7
[M+HCOO]- 335.222781 195.5
[M+CH3COO]- 349.238431 205.0
[M+Na-2H]- 311.199246 175.4
[M]+ 290.22403142 180.3
[M]- 290.22512858 180.3
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.