CID 21868

(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCCCCC1(OCC(O1)CO)C
InChI
InChI=1S/C11H22O3/c1-3-4-5-6-7-11(2)13-9-10(8-12)14-11/h10,12H,3-9H2,1-2H3
InChIKey
IYIHUBAPCSTQLS-UHFFFAOYSA-N
Compound name
(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.15689 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 147.4
[M+Na]+ 225.146108 153.1
[M-H]- 201.149614 150.1
[M+NH4]+ 220.190713 167.1
[M+K]+ 241.120048 153.9
[M+H-H2O]+ 185.154150 143.2
[M+HCOO]- 247.155091 166.3
[M+CH3COO]- 261.170741 182.4
[M+Na-2H]- 223.131556 152.4
[M]+ 202.15634142 150.2
[M]- 202.15743858 150.2
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