CID 22220113

(1,2,4-oxadiazol-3-yl)methanol

Structural Information

Molecular Formula
C3H4N2O2
SMILES
C1=NC(=NO1)CO
InChI
InChI=1S/C3H4N2O2/c6-1-3-4-2-7-5-3/h2,6H,1H2
InChIKey
ZMDNYIYWXSFKSQ-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

100.027275 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.034551 113.4
[M+Na]+ 123.016493 122.9
[M-H]- 99.019999 114.0
[M+NH4]+ 118.061098 133.7
[M+K]+ 138.990433 123.6
[M+H-H2O]+ 83.024535 107.2
[M+HCOO]- 145.025476 136.1
[M+CH3COO]- 159.041126 160.0
[M+Na-2H]- 121.001941 122.7
[M]+ 100.02672642 114.4
[M]- 100.02782358 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