CID 11164

Glycidol

Structural Information

Molecular Formula
C3H6O2
SMILES
C1C(O1)CO
InChI
InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2
InChIKey
CTKINSOISVBQLD-UHFFFAOYSA-N
Compound name
oxiran-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

320
References

99381
Patents

74.03678 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.044056 110.3
[M+Na]+ 97.025998 120.5
[M-H]- 73.029504 115.0
[M+NH4]+ 92.070603 128.0
[M+K]+ 112.99994 120.8
[M+H-H2O]+ 57.034040 105.2
[M+HCOO]- 119.03498 133.4
[M+CH3COO]- 133.05063 162.0
[M+Na-2H]- 95.011446 120.2
[M]+ 74.036231 113.4
[M]- 74.037329 113.4
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

No patent data available for this compound.