CID 12943849

4216-96-0

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)[C@H](C(=O)OC(C)(C)C)O
InChI
InChI=1S/C9H18O3/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7,10H,1-5H3/t7-/m1/s1
InChIKey
XQTIFSCLEWPKCF-SSDOTTSWSA-N
Compound name
tert-butyl (2R)-2-hydroxy-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 140.1
[M+Na]+ 197.114818 146.0
[M-H]- 173.118324 139.2
[M+NH4]+ 192.159423 160.0
[M+K]+ 213.088758 146.7
[M+H-H2O]+ 157.122860 136.2
[M+HCOO]- 219.123801 158.0
[M+CH3COO]- 233.139451 180.2
[M+Na-2H]- 195.100266 142.3
[M]+ 174.12505142 141.8
[M]- 174.12614858 141.8
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