CID 6553875

22422-34-0

Structural Information

Molecular Formula
C10H18O2
SMILES
C[C@]1([C@@H]2C[C@@H](C2(C)C)C[C@@H]1O)O
InChI
InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1
InChIKey
MOILFCKRQFQVFS-BDNRQGISSA-N
Compound name
(1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

2353
Patents

170.13068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 152.3
[M+Na]+ 193.119898 159.1
[M-H]- 169.123404 149.8
[M+NH4]+ 188.164503 173.6
[M+K]+ 209.093838 159.1
[M+H-H2O]+ 153.127940 145.9
[M+HCOO]- 215.128881 162.6
[M+CH3COO]- 229.144531 184.8
[M+Na-2H]- 191.105346 160.9
[M]+ 170.13013142 162.9
[M]- 170.13122858 162.9
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