CID 49851770

Schembl17485219

Structural Information

Molecular Formula
C10H20O4S
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OS(=O)(=O)O)C(C)C
InChI
InChI=1S/C10H20O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h7-10H,4-6H2,1-3H3,(H,11,12,13)/t8-,9+,10-/m1/s1
InChIKey
YGXQDFHBCKKFGL-KXUCPTDWSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

236.10823 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11551 152.1
[M+Na]+ 259.09745 160.1
[M+NH4]+ 254.14205 158.7
[M+K]+ 275.07139 155.1
[M-H]- 235.10095 151.2
[M+Na-2H]- 257.08290 153.6
[M]+ 236.10768 153.2
[M]- 236.10878 153.2
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