CID 12664537

(1,2,5-oxadiazol-3-yl)methanol

Structural Information

Molecular Formula
C3H4N2O2
SMILES
C1=NON=C1CO
InChI
InChI=1S/C3H4N2O2/c6-2-3-1-4-7-5-3/h1,6H,2H2
InChIKey
MSRVURUJSZOIGM-UHFFFAOYSA-N
Compound name
1,2,5-oxadiazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

100.027275 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.03455 114.7
[M+Na]+ 123.01649 126.3
[M+NH4]+ 118.06110 122.3
[M+K]+ 138.99043 124.1
[M-H]- 99.019999 115.4
[M+Na-2H]- 121.00194 120.2
[M]+ 100.02673 116.3
[M]- 100.02782 116.3
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