CID 58332899

Tert-butyl 3-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C8H16O3
SMILES
CC(CO)C(=O)OC(C)(C)C
InChI
InChI=1S/C8H16O3/c1-6(5-9)7(10)11-8(2,3)4/h6,9H,5H2,1-4H3
InChIKey
NMSFJYDCOHOLAA-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

160.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.0
[M+Na]+ 183.09916 142.5
[M-H]- 159.10266 135.2
[M+NH4]+ 178.14376 156.6
[M+K]+ 199.07310 143.1
[M+H-H2O]+ 143.10720 132.2
[M+HCOO]- 205.10814 155.2
[M+CH3COO]- 219.12379 176.2
[M+Na-2H]- 181.08461 139.9
[M]+ 160.10939 138.0
[M]- 160.11049 138.0
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