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

815
Patents

208.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 150.9
[M+Na]+ 231.17193 156.0
[M-H]- 207.17543 153.7
[M+NH4]+ 226.21653 172.0
[M+K]+ 247.14587 154.1
[M+H-H2O]+ 191.17997 145.7
[M+HCOO]- 253.18091 170.4
[M+CH3COO]- 267.19656 189.9
[M+Na-2H]- 229.15738 153.7
[M]+ 208.18216 150.6
[M]- 208.18326 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