CID 1549179

(1s)-(+)-camphorquinone

Structural Information

Molecular Formula
C10H14O2
SMILES
C[C@]12CC[C@H](C1(C)C)C(=O)C2=O
InChI
InChI=1S/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKey
VNQXSTWCDUXYEZ-QUBYGPBYSA-N
Compound name
(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

363
References

55019
Patents

166.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 133.3
[M+Na]+ 189.08860 144.1
[M-H]- 165.09210 137.2
[M+NH4]+ 184.13320 163.6
[M+K]+ 205.06254 141.6
[M+H-H2O]+ 149.09664 131.5
[M+HCOO]- 211.09758 155.0
[M+CH3COO]- 225.11323 179.6
[M+Na-2H]- 187.07405 138.2
[M]+ 166.09883 134.7
[M]- 166.09993 134.7
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.