CID 7392

4-tert-butylcyclohexanone

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)(C)C1CCC(=O)CC1
InChI
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChIKey
YKFKEYKJGVSEIX-UHFFFAOYSA-N
Compound name
4-tert-butylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

5410
Patents

154.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 134.8
[M+Na]+ 177.124988 140.5
[M-H]- 153.128494 138.0
[M+NH4]+ 172.169593 156.2
[M+K]+ 193.098928 139.5
[M+H-H2O]+ 137.133030 130.3
[M+HCOO]- 199.133971 153.7
[M+CH3COO]- 213.149621 177.4
[M+Na-2H]- 175.110436 139.7
[M]+ 154.13522142 131.5
[M]- 154.13631858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe