CID 189860

156324-78-6

Structural Information

Molecular Formula
C13H24O4
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)OCCO)C(C)C
InChI
InChI=1S/C13H24O4/c1-9(2)11-5-4-10(3)8-12(11)17-13(15)16-7-6-14/h9-12,14H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKey
JFKCVAZSEWPOIX-GRYCIOLGSA-N
Compound name
2-hydroxyethyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

1910
Patents

244.16747 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17475 158.6
[M+Na]+ 267.15669 162.5
[M-H]- 243.16019 159.8
[M+NH4]+ 262.20129 175.5
[M+K]+ 283.13063 161.9
[M+H-H2O]+ 227.16473 152.8
[M+HCOO]- 289.16567 175.1
[M+CH3COO]- 303.18132 192.0
[M+Na-2H]- 265.14214 157.5
[M]+ 244.16692 158.3
[M]- 244.16802 158.3
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