CID 21979

(2,2-dipropyl-1,3-dioxolan-4-yl)methanol

Structural Information

Molecular Formula
C10H20O3
SMILES
CCCC1(OCC(O1)CO)CCC
InChI
InChI=1S/C10H20O3/c1-3-5-10(6-4-2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3
InChIKey
DLXVEXDYUBEOPD-UHFFFAOYSA-N
Compound name
(2,2-dipropyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

188.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.148526 142.7
[M+Na]+ 211.130468 148.9
[M-H]- 187.133974 145.7
[M+NH4]+ 206.175073 163.0
[M+K]+ 227.104408 149.9
[M+H-H2O]+ 171.138510 138.7
[M+HCOO]- 233.139451 161.9
[M+CH3COO]- 247.155101 179.4
[M+Na-2H]- 209.115916 148.3
[M]+ 188.14070142 145.2
[M]- 188.14179858 145.2
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