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]+ 291.23186 174.8
[M+Na]+ 313.21380 182.1
[M-H]- 289.21730 176.1
[M+NH4]+ 308.25840 198.4
[M+K]+ 329.18774 176.4
[M+H-H2O]+ 273.22184 172.7
[M+HCOO]- 335.22278 187.2
[M+CH3COO]- 349.23843 210.4
[M+Na-2H]- 311.19925 175.6
[M]+ 290.22403 186.0
[M]- 290.22513 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