CID 106728

67633-99-2

Structural Information

Molecular Formula
C19H30O2
SMILES
CCCC(=O)OCC(=CCCC1(C2CC3C1(C3C2)C)C)C
InChI
InChI=1S/C19H30O2/c1-5-7-17(20)21-12-13(2)8-6-9-18(3)14-10-15-16(11-14)19(15,18)4/h8,14-16H,5-7,9-12H2,1-4H3
InChIKey
QDSFSPZPVZEBGR-UHFFFAOYSA-N
Compound name
[5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-enyl] butanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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 174.8
[M+Na]+ 313.213798 182.1
[M-H]- 289.217304 176.1
[M+NH4]+ 308.258403 198.4
[M+K]+ 329.187738 176.4
[M+H-H2O]+ 273.221840 172.7
[M+HCOO]- 335.222781 187.2
[M+CH3COO]- 349.238431 210.4
[M+Na-2H]- 311.199246 175.6
[M]+ 290.22403142 186.0
[M]- 290.22512858 186.0
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

patents stripe