CID 57483300

131766-73-9

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCC1CC(CCO1)(C)OC(=O)C
InChI
InChI=1S/C11H20O3/c1-4-5-10-8-11(3,6-7-13-10)14-9(2)12/h10H,4-8H2,1-3H3
InChIKey
GURYYNWDVKXZAT-UHFFFAOYSA-N
Compound name
(4-methyl-2-propyloxan-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

275
Patents

200.14125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 145.4
[M+Na]+ 223.13047 150.8
[M-H]- 199.13397 149.0
[M+NH4]+ 218.17507 165.4
[M+K]+ 239.10441 151.8
[M+H-H2O]+ 183.13851 140.5
[M+HCOO]- 245.13945 163.9
[M+CH3COO]- 259.15510 184.5
[M+Na-2H]- 221.11592 150.0
[M]+ 200.14070 146.0
[M]- 200.14180 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe