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

20
Patents

202.15689 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 145.4
[M+Na]+ 225.146108 151.2
[M-H]- 201.149614 148.5
[M+NH4]+ 220.190713 165.4
[M+K]+ 241.120048 152.7
[M+H-H2O]+ 185.154150 141.4
[M+HCOO]- 247.155091 162.2
[M+CH3COO]- 261.170741 182.5
[M+Na-2H]- 223.131556 153.0
[M]+ 202.15634142 146.6
[M]- 202.15743858 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