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]+ 203.164166 148.0
[M+Na]+ 225.146108 153.7
[M-H]- 201.149614 147.0
[M+NH4]+ 220.190713 167.0
[M+K]+ 241.120048 154.0
[M+H-H2O]+ 185.154150 144.5
[M+HCOO]- 247.155091 164.7
[M+CH3COO]- 261.170741 185.7
[M+Na-2H]- 223.131556 151.5
[M]+ 202.15634142 150.7
[M]- 202.15743858 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.