CID 21117021

Mbckysmrkloilv-uhfffaoysa-n

Structural Information

Molecular Formula
C6H12O4
SMILES
CCC(O)(O)OCC1CO1
InChI
InChI=1S/C6H12O4/c1-2-6(7,8)10-4-5-3-9-5/h5,7-8H,2-4H2,1H3
InChIKey
MBCKYSMRKLOILV-UHFFFAOYSA-N
Compound name
1-(oxiran-2-ylmethoxy)propane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

148.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 129.0
[M+Na]+ 171.062778 137.7
[M-H]- 147.066284 131.9
[M+NH4]+ 166.107383 143.1
[M+K]+ 187.036718 137.3
[M+H-H2O]+ 131.070820 123.9
[M+HCOO]- 193.071761 148.5
[M+CH3COO]- 207.087411 172.4
[M+Na-2H]- 169.048226 137.5
[M]+ 148.07301142 133.8
[M]- 148.07410858 133.8
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