CID 82711397

3-(hydroxymethyl)oxolan-3-ol

Structural Information

Molecular Formula
C5H10O3
SMILES
C1COCC1(CO)O
InChI
InChI=1S/C5H10O3/c6-3-5(7)1-2-8-4-5/h6-7H,1-4H2
InChIKey
RQOZSVBKJFQPKJ-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

118.062996 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.070272 121.4
[M+Na]+ 141.052214 128.3
[M-H]- 117.055720 122.9
[M+NH4]+ 136.096819 144.8
[M+K]+ 157.026154 128.7
[M+H-H2O]+ 101.060256 118.0
[M+HCOO]- 163.061197 141.8
[M+CH3COO]- 177.076847 160.3
[M+Na-2H]- 139.037662 128.8
[M]+ 118.06244742 119.1
[M]- 118.06354458 119.1
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