CID 15908937

6-(tert-butoxy)-6-oxohexanoic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
CC(C)(C)OC(=O)CCCCC(=O)O
InChI
InChI=1S/C10H18O4/c1-10(2,3)14-9(13)7-5-4-6-8(11)12/h4-7H2,1-3H3,(H,11,12)
InChIKey
SNOPFBNMUDQLMF-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

202.12051 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 146.7
[M+Na]+ 225.10973 154.2
[M+NH4]+ 220.15433 151.8
[M+K]+ 241.08367 151.4
[M-H]- 201.11323 142.9
[M+Na-2H]- 223.09518 147.3
[M]+ 202.11996 146.3
[M]- 202.12106 146.3
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