CID 18942519

2-hydroxyethyl 2,2-dimethylbutanoate

Structural Information

Molecular Formula
C8H16O3
SMILES
CCC(C)(C)C(=O)OCCO
InChI
InChI=1S/C8H16O3/c1-4-8(2,3)7(10)11-6-5-9/h9H,4-6H2,1-3H3
InChIKey
CRUFITZJZGASJI-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2,2-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1187
Patents

160.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 136.3
[M+Na]+ 183.099158 142.9
[M-H]- 159.102664 135.2
[M+NH4]+ 178.143763 156.7
[M+K]+ 199.073098 142.9
[M+H-H2O]+ 143.107200 132.3
[M+HCOO]- 205.108141 156.4
[M+CH3COO]- 219.123791 176.0
[M+Na-2H]- 181.084606 141.3
[M]+ 160.10939142 138.9
[M]- 160.11048858 138.9
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