CID 347827

1,3-dioxolane-4-methanol, 2-propyl-

Structural Information

Molecular Formula
C7H14O3
SMILES
CCCC1OCC(O1)CO
InChI
InChI=1S/C7H14O3/c1-2-3-7-9-5-6(4-8)10-7/h6-8H,2-5H2,1H3
InChIKey
MCDLJNJNGRFOOF-UHFFFAOYSA-N
Compound name
(2-propyl-1,3-dioxolan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

146.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 130.6
[M+Na]+ 169.08352 137.2
[M-H]- 145.08702 133.8
[M+NH4]+ 164.12812 150.6
[M+K]+ 185.05746 138.7
[M+H-H2O]+ 129.09156 126.2
[M+HCOO]- 191.09250 150.9
[M+CH3COO]- 205.10815 170.7
[M+Na-2H]- 167.06897 136.5
[M]+ 146.09375 131.6
[M]- 146.09485 131.6
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