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
3
Annotation Hits

0
References

120
Patents

154.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 133.1
[M+Na]+ 177.124988 140.1
[M-H]- 153.128494 136.7
[M+NH4]+ 172.169593 156.7
[M+K]+ 193.098928 139.0
[M+H-H2O]+ 137.133030 129.0
[M+HCOO]- 199.133971 153.5
[M+CH3COO]- 213.149621 178.4
[M+Na-2H]- 175.110436 137.8
[M]+ 154.13522142 130.9
[M]- 154.13631858 130.9
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