CID 3033862

Carbonochloridic acid, (1,1-dimethylethyl)cyclohexyl ester

Structural Information

Molecular Formula
C11H19ClO2
SMILES
CC(C)(C)C1(CCCCC1)OC(=O)Cl
InChI
InChI=1S/C11H19ClO2/c1-10(2,3)11(14-9(12)13)7-5-4-6-8-11/h4-8H2,1-3H3
InChIKey
ACTNFHSDNDLYAM-UHFFFAOYSA-N
Compound name
(1-tert-butylcyclohexyl) carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.10736 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11464 148.6
[M+Na]+ 241.09658 154.4
[M-H]- 217.10008 151.5
[M+NH4]+ 236.14118 170.0
[M+K]+ 257.07052 152.2
[M+H-H2O]+ 201.10462 145.2
[M+HCOO]- 263.10556 161.9
[M+CH3COO]- 277.12121 184.8
[M+Na-2H]- 239.08203 153.2
[M]+ 218.10681 148.2
[M]- 218.10791 148.2
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