CID 447414

5-exo-hydroxycamphor

Structural Information

Molecular Formula
C10H16O2
SMILES
C[C@@]12C[C@H]([C@@H](C1(C)C)CC2=O)O
InChI
InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1
InChIKey
DJQYBVLXBVJHMU-PJKMHFRUSA-N
Compound name
(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

63
Patents

168.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.8
[M+Na]+ 191.104258 145.9
[M-H]- 167.107764 138.3
[M+NH4]+ 186.148863 165.4
[M+K]+ 207.078198 143.1
[M+H-H2O]+ 151.112300 134.2
[M+HCOO]- 213.113241 155.8
[M+CH3COO]- 227.128891 177.9
[M+Na-2H]- 189.089706 140.2
[M]+ 168.11449142 136.1
[M]- 168.11558858 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

literature stripe

Patent stripe

patents stripe