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

4
Patents

200.14125 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 146.6
[M+Na]+ 223.130468 150.7
[M-H]- 199.133974 149.2
[M+NH4]+ 218.175073 165.7
[M+K]+ 239.104408 151.0
[M+H-H2O]+ 183.138510 140.8
[M+HCOO]- 245.139451 165.0
[M+CH3COO]- 259.155101 185.9
[M+Na-2H]- 221.115916 147.6
[M]+ 200.14070142 145.6
[M]- 200.14179858 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