CID 106964

67920-94-9

Structural Information

Molecular Formula
C13H20O
SMILES
CC(C)C12CCC(CC1C=O)(C=C2)C
InChI
InChI=1S/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)8-11(13)9-14/h4,6,9-11H,5,7-8H2,1-3H3
InChIKey
PDSPBIIMJJPMBL-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-ylbicyclo[2.2.2]oct-5-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 148.8
[M+Na]+ 215.14063 154.4
[M-H]- 191.14413 145.9
[M+NH4]+ 210.18523 176.7
[M+K]+ 231.11457 151.5
[M+H-H2O]+ 175.14867 144.2
[M+HCOO]- 237.14961 160.1
[M+CH3COO]- 251.16526 159.6
[M+Na-2H]- 213.12608 159.2
[M]+ 192.15086 151.2
[M]- 192.15196 151.2
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.