CID 103695

Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-

Structural Information

Molecular Formula
C10H18O
SMILES
CC1CCCC(C1C=O)(C)C
InChI
InChI=1S/C10H18O/c1-8-5-4-6-10(2,3)9(8)7-11/h7-9H,4-6H2,1-3H3
InChIKey
MPLGIGIOVUTMJA-UHFFFAOYSA-N
Compound name
2,2,6-trimethylcyclohexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

154.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 135.4
[M+Na]+ 177.12499 146.9
[M+NH4]+ 172.16959 146.0
[M+K]+ 193.09893 138.3
[M-H]- 153.12849 137.7
[M+Na-2H]- 175.11044 141.8
[M]+ 154.13522 137.8
[M]- 154.13632 137.8
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