CID 106684

1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde

Structural Information

Molecular Formula
C14H24O
SMILES
CC(C)CCCC1=CCC(CC1)(C)C=O
InChI
InChI=1S/C14H24O/c1-12(2)5-4-6-13-7-9-14(3,11-15)10-8-13/h7,11-12H,4-6,8-10H2,1-3H3
InChIKey
MVTYXAVPKZRAMW-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

804
Patents

208.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 150.9
[M+Na]+ 231.171928 156.0
[M-H]- 207.175434 153.7
[M+NH4]+ 226.216533 172.0
[M+K]+ 247.145868 154.1
[M+H-H2O]+ 191.179970 145.7
[M+HCOO]- 253.180911 170.4
[M+CH3COO]- 267.196561 189.9
[M+Na-2H]- 229.157376 153.7
[M]+ 208.18216142 150.6
[M]- 208.18325858 150.6
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