CID 6454690

Einecs 264-403-5

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1CCCC(C1)(C)COC(=O)C
InChI
InChI=1S/C11H20O2/c1-9-5-4-6-11(3,7-9)8-13-10(2)12/h9H,4-8H2,1-3H3
InChIKey
ZSQCHEKOWLZTIE-UHFFFAOYSA-N
Compound name
(1,3-dimethylcyclohexyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 142.6
[M+Na]+ 207.135548 148.0
[M-H]- 183.139054 145.7
[M+NH4]+ 202.180153 164.6
[M+K]+ 223.109488 147.6
[M+H-H2O]+ 167.143590 137.9
[M+HCOO]- 229.144531 161.8
[M+CH3COO]- 243.160181 182.5
[M+Na-2H]- 205.120996 146.1
[M]+ 184.14578142 141.1
[M]- 184.14687858 141.1
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.