CID 62398199

Ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate

Structural Information

Molecular Formula
C11H22O3
SMILES
CCOC(=O)C(C)(C)C(C(C)(C)C)O
InChI
InChI=1S/C11H22O3/c1-7-14-9(13)11(5,6)8(12)10(2,3)4/h8,12H,7H2,1-6H3
InChIKey
IDGMXZDBBYJRPU-UHFFFAOYSA-N
Compound name
ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 148.0
[M+Na]+ 225.14611 153.7
[M-H]- 201.14961 147.0
[M+NH4]+ 220.19071 167.0
[M+K]+ 241.12005 154.0
[M+H-H2O]+ 185.15415 144.5
[M+HCOO]- 247.15509 164.7
[M+CH3COO]- 261.17074 185.7
[M+Na-2H]- 223.13156 151.5
[M]+ 202.15634 150.7
[M]- 202.15744 150.7
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.