CID 54272639

Tert-butyl 3-hydroxy-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)OC(=O)C(C)(C)CO
InChI
InChI=1S/C9H18O3/c1-8(2,3)12-7(11)9(4,5)6-10/h10H,6H2,1-5H3
InChIKey
RLFQMGRNOHPVPI-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

174.1256 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 139.7
[M+Na]+ 197.11482 146.4
[M-H]- 173.11832 138.9
[M+NH4]+ 192.15942 159.8
[M+K]+ 213.08876 146.6
[M+H-H2O]+ 157.12286 136.3
[M+HCOO]- 219.12380 157.9
[M+CH3COO]- 233.13945 178.8
[M+Na-2H]- 195.10027 145.2
[M]+ 174.12505 142.1
[M]- 174.12615 142.1
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