CID 151928

Menthyl chloroformate

Structural Information

Molecular Formula

C₁₁H₁₉ClO₂

SMILES

CC1CCC(C(C1)OC(=O)Cl)C(C)C

InChI

InChI=1S/C11H19ClO2/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3

InChIKey

KIUPCUCGVCGPPA-UHFFFAOYSA-N

Compound name

(5-methyl-2-propan-2-ylcyclohexyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 3377
Patents: 218.10736 Da
Monoisotopic Mass: 4.7
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	148.3
[M+Na]+	241.09658	154.3
[M-H]-	217.10008	151.3
[M+NH4]+	236.14118	167.9
[M+K]+	257.07052	151.9
[M+H-H2O]+	201.10462	143.9
[M+HCOO]-	263.10556	162.0
[M+CH3COO]-	277.12121	188.8
[M+Na-2H]-	239.08203	148.3
[M]+	218.10681	148.3
[M]-	218.10791	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe