CID 167741051

Tert-butyl 5-hydroxy-3,3-dimethylpentanoate

Structural Information

Molecular Formula
C11H22O3
SMILES
CC(C)(C)OC(=O)CC(C)(C)CCO
InChI
InChI=1S/C11H22O3/c1-10(2,3)14-9(13)8-11(4,5)6-7-12/h12H,6-8H2,1-5H3
InChIKey
BNNNIESIUYGXRJ-UHFFFAOYSA-N
Compound name
tert-butyl 5-hydroxy-3,3-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.15689 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 149.1
[M+Na]+ 225.14611 155.0
[M-H]- 201.14961 147.9
[M+NH4]+ 220.19071 168.1
[M+K]+ 241.12005 154.7
[M+H-H2O]+ 185.15415 145.3
[M+HCOO]- 247.15509 166.7
[M+CH3COO]- 261.17074 184.9
[M+Na-2H]- 223.13156 153.6
[M]+ 202.15634 152.3
[M]- 202.15744 152.3
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