CID 91636192

1224582-23-3

Structural Information

Molecular Formula
C11H20O3
SMILES
CC(C)OC1CCC(CC1)C(=O)OC
InChI
InChI=1S/C11H20O3/c1-8(2)14-10-6-4-9(5-7-10)11(12)13-3/h8-10H,4-7H2,1-3H3
InChIKey
LQSIDDBRTITWIG-UHFFFAOYSA-N
Compound name
methyl 4-propan-2-yloxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 146.6
[M+Na]+ 223.13047 150.7
[M-H]- 199.13397 149.2
[M+NH4]+ 218.17507 165.7
[M+K]+ 239.10441 151.0
[M+H-H2O]+ 183.13851 140.8
[M+HCOO]- 245.13945 165.0
[M+CH3COO]- 259.15510 185.9
[M+Na-2H]- 221.11592 147.6
[M]+ 200.14070 145.6
[M]- 200.14180 145.6
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