CID 44147044

Einecs 299-541-5

Structural Information

Molecular Formula
C15H24O2
SMILES
CCC(C)C(C1C(C2CC1C=C2)C)OC(=O)C
InChI
InChI=1S/C15H24O2/c1-5-9(2)15(17-11(4)16)14-10(3)12-6-7-13(14)8-12/h6-7,9-10,12-15H,5,8H2,1-4H3
InChIKey
HKHUUNBSCMQVGO-UHFFFAOYSA-N
Compound name
[2-methyl-1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)butyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 162.7
[M+Na]+ 259.166848 168.3
[M-H]- 235.170354 165.3
[M+NH4]+ 254.211453 185.9
[M+K]+ 275.140788 166.6
[M+H-H2O]+ 219.174890 158.4
[M+HCOO]- 281.175831 180.9
[M+CH3COO]- 295.191481 196.4
[M+Na-2H]- 257.152296 159.9
[M]+ 236.17708142 164.9
[M]- 236.17817858 164.9
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.