CID 139598120

Cyclohexyl (2s)-2-hydroxy-2-propan-2-yloxypropanoate

Structural Information

Molecular Formula
C12H22O4
SMILES
CC(C)O[C@@](C)(C(=O)OC1CCCCC1)O
InChI
InChI=1S/C12H22O4/c1-9(2)16-12(3,14)11(13)15-10-7-5-4-6-8-10/h9-10,14H,4-8H2,1-3H3/t12-/m0/s1
InChIKey
YYDMEUUJGUXDOX-LBPRGKRZSA-N
Compound name
cyclohexyl (2S)-2-hydroxy-2-propan-2-yloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.15181 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.159086 154.2
[M+Na]+ 253.141028 156.9
[M-H]- 229.144534 155.1
[M+NH4]+ 248.185633 171.1
[M+K]+ 269.114968 157.0
[M+H-H2O]+ 213.149070 148.8
[M+HCOO]- 275.150011 169.4
[M+CH3COO]- 289.165661 187.5
[M+Na-2H]- 251.126476 155.9
[M]+ 230.15126142 152.4
[M]- 230.15235858 152.4
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

No patent data available for this compound.