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

38
Patents

168.15141 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 138.0
[M+Na]+ 191.140628 147.7
[M-H]- 167.144134 140.4
[M+NH4]+ 186.185233 169.4
[M+K]+ 207.114568 144.6
[M+H-H2O]+ 151.148670 136.4
[M+HCOO]- 213.149611 157.3
[M+CH3COO]- 227.165261 178.6
[M+Na-2H]- 189.126076 143.4
[M]+ 168.15086142 137.9
[M]- 168.15195858 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