CID 12664537

79552-35-5

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

38
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 113.4
[M+Na]+ 123.01649 122.9
[M-H]- 99.019999 114.0
[M+NH4]+ 118.06110 133.7
[M+K]+ 138.99043 123.6
[M+H-H2O]+ 83.024535 107.2
[M+HCOO]- 145.02548 136.1
[M+CH3COO]- 159.04113 160.0
[M+Na-2H]- 121.00194 122.7
[M]+ 100.02673 114.4
[M]- 100.02782 114.4
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