CID 199860

1,2,3-oxadiazolium, 5-amino-3-methyl-, chloride (1:1)

Structural Information

Molecular Formula
C3H6N3O
SMILES
C[N+]1=NOC(=C1)N
InChI
InChI=1S/C3H6N3O/c1-6-2-3(4)7-5-6/h2H,4H2,1H3/q+1
InChIKey
XEIWWBIPFNWNBB-UHFFFAOYSA-N
Compound name
3-methyloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

100.05109 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05837 113.4
[M+Na]+ 123.04031 123.4
[M-H]- 99.043814 115.6
[M+NH4]+ 118.08491 134.0
[M+K]+ 139.01425 118.7
[M+H-H2O]+ 83.048350 109.9
[M+HCOO]- 145.04929 137.6
[M+CH3COO]- 159.06494 159.1
[M+Na-2H]- 121.02576 124.5
[M]+ 100.05054 112.2
[M]- 100.05164 112.2
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