CID 109262

Einecs 269-523-1

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=C2CC(C(C1)(C(C2)C(C)C)C)C=O
InChI
InChI=1S/C14H22O/c1-9(2)13-6-11-5-12(8-15)14(13,4)7-10(11)3/h8-9,12-13H,5-7H2,1-4H3
InChIKey
JPGDNEGNDDOOLZ-UHFFFAOYSA-N
Compound name
1,5-dimethyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 152.3
[M+Na]+ 229.15629 158.0
[M-H]- 205.15979 149.5
[M+NH4]+ 224.20089 178.2
[M+K]+ 245.13023 155.1
[M+H-H2O]+ 189.16433 148.1
[M+HCOO]- 251.16527 163.1
[M+CH3COO]- 265.18092 196.0
[M+Na-2H]- 227.14174 160.0
[M]+ 206.16652 155.4
[M]- 206.16762 155.4
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.