CID 53424693

Schembl21964183

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CCC(C1(C)C)CC=C(C)COC(=O)C
InChI
InChI=1S/C15H24O2/c1-11(10-17-13(3)16)6-8-14-9-7-12(2)15(14,4)5/h6-7,14H,8-10H2,1-5H3
InChIKey
NYOLTLWONQGFNE-UHFFFAOYSA-N
Compound name
[2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.17763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 157.1
[M+Na]+ 259.166848 163.8
[M-H]- 235.170354 160.5
[M+NH4]+ 254.211453 179.2
[M+K]+ 275.140788 161.8
[M+H-H2O]+ 219.174890 152.7
[M+HCOO]- 281.175831 177.8
[M+CH3COO]- 295.191481 194.3
[M+Na-2H]- 257.152296 156.5
[M]+ 236.17708142 159.6
[M]- 236.17817858 159.6
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

patents stripe