CID 170608

42125-46-2

Structural Information

Molecular Formula

C₁₁H₁₉ClO₂

SMILES

CC(C)(C)C1CCC(CC1)OC(=O)Cl

InChI

InChI=1S/C11H19ClO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3

InChIKey

YXFSGPPQRCUVRL-UHFFFAOYSA-N

Compound name

(4-tert-butylcyclohexyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 138
Patents: 218.10736 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.11464	148.9
[M+Na]+	241.09658	154.8
[M-H]-	217.10008	151.9
[M+NH4]+	236.14118	168.6
[M+K]+	257.07052	152.4
[M+H-H2O]+	201.10462	144.8
[M+HCOO]-	263.10556	162.1
[M+CH3COO]-	277.12121	186.4
[M+Na-2H]-	239.08203	151.6
[M]+	218.10681	148.6
[M]-	218.10791	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe