CID 54136087

Tert-butyl 4-hydroxy-2-methylbutanoate

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(CCO)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H18O3/c1-7(5-6-10)8(11)12-9(2,3)4/h7,10H,5-6H2,1-4H3
InChIKey
NXUCINIHTKHRKX-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

174.1256 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 140.8
[M+Na]+ 197.114818 146.8
[M-H]- 173.118324 139.7
[M+NH4]+ 192.159423 160.7
[M+K]+ 213.088758 147.1
[M+H-H2O]+ 157.122860 136.8
[M+HCOO]- 219.123801 159.6
[M+CH3COO]- 233.139451 179.2
[M+Na-2H]- 195.100266 144.1
[M]+ 174.12505142 143.1
[M]- 174.12614858 143.1
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