CID 23124820

30304-82-6

Structural Information

Molecular Formula
C14H26O5
SMILES
CC1CCC(C(C1)(CC(CO)O)OC(=O)O)C(C)C
InChI
InChI=1S/C14H26O5/c1-9(2)12-5-4-10(3)6-14(12,19-13(17)18)7-11(16)8-15/h9-12,15-16H,4-8H2,1-3H3,(H,17,18)
InChIKey
LICDRAZNJNMJQO-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] hydrogen carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

274.178 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18528 165.8
[M+Na]+ 297.16722 168.8
[M-H]- 273.17072 164.2
[M+NH4]+ 292.21182 181.8
[M+K]+ 313.14116 167.9
[M+H-H2O]+ 257.17526 161.5
[M+HCOO]- 319.17620 178.0
[M+CH3COO]- 333.19185 193.5
[M+Na-2H]- 295.15267 163.5
[M]+ 274.17745 163.4
[M]- 274.17855 163.4
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