CID 109261

5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=C2CC(C(C1)C(C2)C(C)C)C=O
InChI
InChI=1S/C13H20O/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h7-8,11-13H,4-6H2,1-3H3
InChIKey
BNAYNPKNDLTBTJ-UHFFFAOYSA-N
Compound name
5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

192.15141 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 147.0
[M+Na]+ 215.14063 152.1
[M-H]- 191.14413 144.2
[M+NH4]+ 210.18523 171.6
[M+K]+ 231.11457 149.5
[M+H-H2O]+ 175.14867 142.9
[M+HCOO]- 237.14961 158.4
[M+CH3COO]- 251.16526 193.6
[M+Na-2H]- 213.12608 154.5
[M]+ 192.15086 149.6
[M]- 192.15196 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