CID 85687

5-(hydroxymethyl)oxolan-2-ol

Structural Information

Molecular Formula
C5H10O3
SMILES
C1CC(OC1CO)O
InChI
InChI=1S/C5H10O3/c6-3-4-1-2-5(7)8-4/h4-7H,1-3H2
InChIKey
DBSOIXXDPKIKML-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)oxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

118.062996 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 121.7
[M+Na]+ 141.052214 128.6
[M-H]- 117.055720 123.1
[M+NH4]+ 136.096819 143.3
[M+K]+ 157.026154 128.8
[M+H-H2O]+ 101.060256 117.5
[M+HCOO]- 163.061197 142.0
[M+CH3COO]- 177.076847 161.9
[M+Na-2H]- 139.037662 127.2
[M]+ 118.06244742 119.4
[M]- 118.06354458 119.4
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