CID 90410069

2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal

Structural Information

Molecular Formula
C14H26O
SMILES
CC1CCCC(C1CCC(C)C=O)(C)C
InChI
InChI=1S/C14H26O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h10-13H,5-9H2,1-4H3
InChIKey
YNODHHMFOJADOU-UHFFFAOYSA-N
Compound name
2-methyl-4-(2,2,6-trimethylcyclohexyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.19836 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 151.3
[M+Na]+ 233.187578 156.4
[M-H]- 209.191084 154.2
[M+NH4]+ 228.232183 172.6
[M+K]+ 249.161518 154.7
[M+H-H2O]+ 193.195620 146.6
[M+HCOO]- 255.196561 169.3
[M+CH3COO]- 269.212211 191.4
[M+Na-2H]- 231.173026 152.6
[M]+ 210.19781142 149.9
[M]- 210.19890858 149.9
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

No patent data available for this compound.