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]+ 203.164166 149.1
[M+Na]+ 225.146108 155.0
[M-H]- 201.149614 147.9
[M+NH4]+ 220.190713 168.1
[M+K]+ 241.120048 154.7
[M+H-H2O]+ 185.154150 145.3
[M+HCOO]- 247.155091 166.7
[M+CH3COO]- 261.170741 184.9
[M+Na-2H]- 223.131556 153.6
[M]+ 202.15634142 152.3
[M]- 202.15743858 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