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
2
Annotation Hits

2
References

2056
Patents

170.13068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 152.3
[M+Na]+ 193.11990 159.1
[M-H]- 169.12340 149.8
[M+NH4]+ 188.16450 173.6
[M+K]+ 209.09384 159.1
[M+H-H2O]+ 153.12794 145.9
[M+HCOO]- 215.12888 162.6
[M+CH3COO]- 229.14453 184.8
[M+Na-2H]- 191.10535 160.9
[M]+ 170.13013 162.9
[M]- 170.13123 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.