CID 558447

2-methyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C3H4N2O
SMILES
CC1=NN=CO1
InChI
InChI=1S/C3H4N2O/c1-3-5-4-2-6-3/h2H,1H3
InChIKey
ZMSIFDIKIXVLDF-UHFFFAOYSA-N
Compound name
2-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4532
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

literature stripe

Patent stripe

patents stripe