CID 104417

1,3-bis(2-methylpropoxy)propan-2-ol

Structural Information

Molecular Formula
C11H24O3
SMILES
CC(C)COCC(COCC(C)C)O
InChI
InChI=1S/C11H24O3/c1-9(2)5-13-7-11(12)8-14-6-10(3)4/h9-12H,5-8H2,1-4H3
InChIKey
NUYSFVDIFREUIM-UHFFFAOYSA-N
Compound name
1,3-bis(2-methylpropoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

204.17255 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.179826 152.8
[M+Na]+ 227.161768 156.8
[M-H]- 203.165274 150.9
[M+NH4]+ 222.206373 171.2
[M+K]+ 243.135708 157.2
[M+H-H2O]+ 187.169810 147.5
[M+HCOO]- 249.170751 171.2
[M+CH3COO]- 263.186401 188.1
[M+Na-2H]- 225.147216 152.8
[M]+ 204.17200142 156.5
[M]- 204.17309858 156.5
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