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
3
Annotation Hits

0
References

35
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 138.0
[M+Na]+ 191.14063 147.7
[M-H]- 167.14413 140.4
[M+NH4]+ 186.18523 169.4
[M+K]+ 207.11457 144.6
[M+H-H2O]+ 151.14867 136.4
[M+HCOO]- 213.14961 157.3
[M+CH3COO]- 227.16526 178.6
[M+Na-2H]- 189.12608 143.4
[M]+ 168.15086 137.9
[M]- 168.15196 137.9
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