CID 86602130

Tert-butyl 4-formylcyclohexane-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₀O₃

SMILES

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

InChI

InChI=1S/C12H20O3/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h8-10H,4-7H2,1-3H3

InChIKey

GLZYLSVETUCVRZ-UHFFFAOYSA-N

Compound name

tert-butyl 4-formylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 212.14125 Da
Monoisotopic Mass: 1.7
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]+	213.148526	148.7
[M+Na]+	235.130468	153.6
[M-H]-	211.133974	151.6
[M+NH4]+	230.175073	167.6
[M+K]+	251.104408	153.0
[M+H-H2O]+	195.138510	143.6
[M+HCOO]-	257.139451	166.6
[M+CH3COO]-	271.155101	186.8
[M+Na-2H]-	233.115916	151.5
[M]+	212.14070142	147.6
[M]-	212.14179858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe