CID 204316

Dtxsid70936524

Structural Information

Molecular Formula
C4H9N4O
SMILES
CN(C)[N+]1=NOC(=C1)N
InChI
InChI=1S/C4H9N4O/c1-7(2)8-3-4(5)9-6-8/h3H,5H2,1-2H3/q+1
InChIKey
DTIPHVKIVUVQDK-UHFFFAOYSA-N
Compound name
3-N,3-N-dimethyloxadiazol-3-ium-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

129.07764 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.084916 121.7
[M+Na]+ 152.066858 130.4
[M-H]- 128.070364 125.2
[M+NH4]+ 147.111463 141.3
[M+K]+ 168.040798 126.6
[M+H-H2O]+ 112.074900 117.2
[M+HCOO]- 174.075841 147.0
[M+CH3COO]- 188.091491 170.5
[M+Na-2H]- 150.052306 131.9
[M]+ 129.07709142 121.2
[M]- 129.07818858 121.2
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