CID 23024110

Schembl29397154

Structural Information

Molecular Formula
C16H28O3
SMILES
CCC1C(O1)CC(=O)OC(C)C2CCCC(C2)(C)C
InChI
InChI=1S/C16H28O3/c1-5-13-14(19-13)9-15(17)18-11(2)12-7-6-8-16(3,4)10-12/h11-14H,5-10H2,1-4H3
InChIKey
SQZHKZWZYYVTTH-UHFFFAOYSA-N
Compound name
1-(3,3-dimethylcyclohexyl)ethyl 2-(3-ethyloxiran-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

147
Patents

268.20386 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.21114 164.2
[M+Na]+ 291.19308 170.0
[M-H]- 267.19658 171.5
[M+NH4]+ 286.23768 176.8
[M+K]+ 307.16702 170.0
[M+H-H2O]+ 251.20112 158.3
[M+HCOO]- 313.20206 180.1
[M+CH3COO]- 327.21771 202.6
[M+Na-2H]- 289.17853 165.0
[M]+ 268.20331 167.8
[M]- 268.20441 167.8
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.