CID 106866

67845-30-1

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=CC2CC(C1CC2C(C)C)C=O
InChI
InChI=1S/C13H20O/c1-8(2)12-6-13-9(3)4-10(12)5-11(13)7-14/h4,7-8,10-13H,5-6H2,1-3H3
InChIKey
OWFZJSXGDOTWSH-UHFFFAOYSA-N
Compound name
6-methyl-8-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

646
Patents

192.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.158686 147.0
[M+Na]+ 215.140628 152.1
[M-H]- 191.144134 144.2
[M+NH4]+ 210.185233 171.6
[M+K]+ 231.114568 149.5
[M+H-H2O]+ 175.148670 142.9
[M+HCOO]- 237.149611 158.4
[M+CH3COO]- 251.165261 193.6
[M+Na-2H]- 213.126076 154.5
[M]+ 192.15086142 149.6
[M]- 192.15195858 149.6
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