CID 4111803

3-methyl-1,2,5-oxadiazole

Structural Information

Molecular Formula
C3H4N2O
SMILES
CC1=NON=C1
InChI
InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3
InChIKey
WBILDQZWYMFRNR-UHFFFAOYSA-N
Compound name
3-methyl-1,2,5-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1276
Patents

84.032364 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 109.6
[M+Na]+ 107.02158 119.6
[M-H]- 83.025088 111.5
[M+NH4]+ 102.06619 131.3
[M+K]+ 122.99552 120.9
[M+H-H2O]+ 67.029624 103.4
[M+HCOO]- 129.03056 133.5
[M+CH3COO]- 143.04622 160.7
[M+Na-2H]- 105.00703 119.4
[M]+ 84.031815 111.0
[M]- 84.032913 111.0
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.