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

14
Patents

212.14125 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.14853 149.4
[M+Na]+ 235.13047 158.5
[M+NH4]+ 230.17507 156.4
[M+K]+ 251.10441 154.0
[M-H]- 211.13397 149.4
[M+Na-2H]- 233.11592 152.5
[M]+ 212.14070 150.4
[M]- 212.14180 150.4
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