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
3
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]+ 207.174346 152.3
[M+Na]+ 229.156288 158.0
[M-H]- 205.159794 149.5
[M+NH4]+ 224.200893 178.2
[M+K]+ 245.130228 155.1
[M+H-H2O]+ 189.164330 148.1
[M+HCOO]- 251.165271 163.1
[M+CH3COO]- 265.180921 196.0
[M+Na-2H]- 227.141736 160.0
[M]+ 206.16652142 155.4
[M]- 206.16761858 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.