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

68
Patents

146.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 130.6
[M+Na]+ 169.083518 137.2
[M-H]- 145.087024 133.8
[M+NH4]+ 164.128123 150.6
[M+K]+ 185.057458 138.7
[M+H-H2O]+ 129.091560 126.2
[M+HCOO]- 191.092501 150.9
[M+CH3COO]- 205.108151 170.7
[M+Na-2H]- 167.068966 136.5
[M]+ 146.09375142 131.6
[M]- 146.09484858 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