CID 117238039

2-(oxolan-3-yl)propane-1,3-diol

Structural Information

Molecular Formula
C7H14O3
SMILES
C1COCC1C(CO)CO
InChI
InChI=1S/C7H14O3/c8-3-7(4-9)6-1-2-10-5-6/h6-9H,1-5H2
InChIKey
YULFZWAVZSYYIR-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0943 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 132.3
[M+Na]+ 169.083518 137.1
[M-H]- 145.087024 133.1
[M+NH4]+ 164.128123 152.4
[M+K]+ 185.057458 137.3
[M+H-H2O]+ 129.091560 127.5
[M+HCOO]- 191.092501 150.9
[M+CH3COO]- 205.108151 167.7
[M+Na-2H]- 167.068966 136.0
[M]+ 146.09375142 129.7
[M]- 146.09484858 129.7
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

No patent data available for this compound.