CID 53440674

Dtxsid40702713

Structural Information

Molecular Formula
C15H24O2
SMILES
CCC1CC1CC2CC2CC3CC3C(=O)OC
InChI
InChI=1S/C15H24O2/c1-3-9-4-10(9)5-11-6-12(11)7-13-8-14(13)15(16)17-2/h9-14H,3-8H2,1-2H3
InChIKey
BRZXGZDBYPCFGB-UHFFFAOYSA-N
Compound name
methyl 2-[[2-[(2-ethylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 170.6
[M+Na]+ 259.166848 173.7
[M-H]- 235.170354 177.9
[M+NH4]+ 254.211453 171.6
[M+K]+ 275.140788 173.1
[M+H-H2O]+ 219.174890 165.4
[M+HCOO]- 281.175831 184.0
[M+CH3COO]- 295.191481 216.8
[M+Na-2H]- 257.152296 167.1
[M]+ 236.17708142 176.0
[M]- 236.17817858 176.0
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

No patent data available for this compound.