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

15
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 148.7
[M+Na]+ 235.13047 153.6
[M-H]- 211.13397 151.6
[M+NH4]+ 230.17507 167.6
[M+K]+ 251.10441 153.0
[M+H-H2O]+ 195.13851 143.6
[M+HCOO]- 257.13945 166.6
[M+CH3COO]- 271.15510 186.8
[M+Na-2H]- 233.11592 151.5
[M]+ 212.14070 147.6
[M]- 212.14180 147.6
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