CID 201448

Oxocamphor

Structural Information

Molecular Formula
C10H14O2
SMILES
CC1(C2CCC1(C(=O)C2)C=O)C
InChI
InChI=1S/C10H14O2/c1-9(2)7-3-4-10(9,6-11)8(12)5-7/h6-7H,3-5H2,1-2H3
InChIKey
DLKVHFJZTKTFRS-UHFFFAOYSA-N
Compound name
7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

166.09938 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.106656 135.1
[M+Na]+ 189.088598 145.0
[M-H]- 165.092104 138.7
[M+NH4]+ 184.133203 165.1
[M+K]+ 205.062538 142.4
[M+H-H2O]+ 149.096640 132.8
[M+HCOO]- 211.097581 156.8
[M+CH3COO]- 225.113231 178.4
[M+Na-2H]- 187.074046 140.4
[M]+ 166.09883142 136.1
[M]- 166.09992858 136.1
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