CID 119965

Einecs 249-036-0

Structural Information

Molecular Formula
C11H20O
SMILES
C[C@@]12CC[C@H](C1)C([C@]2(C)O)(C)C
InChI
InChI=1S/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3/t8-,10-,11+/m1/s1
InChIKey
AJVKAPQCJKEUSG-IEBDPFPHSA-N
Compound name
(1R,2R,4R)-1,2,3,3-tetramethylbicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

168.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 137.5
[M+Na]+ 191.14063 146.0
[M+NH4]+ 186.18523 151.2
[M+K]+ 207.11457 138.4
[M-H]- 167.14413 137.7
[M+Na-2H]- 189.12608 142.9
[M]+ 168.15086 139.1
[M]- 168.15196 139.1
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