CID 154699783

(1r,4r)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one

Structural Information

Molecular Formula
C10H16O2
SMILES
C[C@@]12CC[C@@H](C1(C)CO)CC2=O
InChI
InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12)10(9,2)6-11/h7,11H,3-6H2,1-2H3/t7-,9+,10?/m1/s1
InChIKey
MANWHKQXMFYQDY-IKZKJGMZSA-N
Compound name
(1R,4R)-7-(hydroxymethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.3
[M+Na]+ 191.10426 145.5
[M+NH4]+ 186.14886 149.0
[M+K]+ 207.07820 140.1
[M-H]- 167.10776 136.8
[M+Na-2H]- 189.08971 140.8
[M]+ 168.11449 138.4
[M]- 168.11559 138.4
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

No patent data available for this compound.