CID 15577182

(2,2,5-triethyl-1,3-dioxan-5-yl)methanol

Structural Information

Molecular Formula
C11H22O3
SMILES
CCC1(COC(OC1)(CC)CC)CO
InChI
InChI=1S/C11H22O3/c1-4-10(7-12)8-13-11(5-2,6-3)14-9-10/h12H,4-9H2,1-3H3
InChIKey
QHUJHYZVEWMVEA-UHFFFAOYSA-N
Compound name
(2,2,5-triethyl-1,3-dioxan-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

202.15689 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 145.4
[M+Na]+ 225.14611 151.2
[M-H]- 201.14961 148.5
[M+NH4]+ 220.19071 165.4
[M+K]+ 241.12005 152.7
[M+H-H2O]+ 185.15415 141.4
[M+HCOO]- 247.15509 162.2
[M+CH3COO]- 261.17074 182.5
[M+Na-2H]- 223.13156 153.0
[M]+ 202.15634 146.6
[M]- 202.15744 146.6
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