CID 204316

3-(dimethylamino)sydnone imine hydrochloride

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]+ 130.08492 121.7
[M+Na]+ 152.06686 130.4
[M-H]- 128.07036 125.2
[M+NH4]+ 147.11146 141.3
[M+K]+ 168.04080 126.6
[M+H-H2O]+ 112.07490 117.2
[M+HCOO]- 174.07584 147.0
[M+CH3COO]- 188.09149 170.5
[M+Na-2H]- 150.05231 131.9
[M]+ 129.07709 121.2
[M]- 129.07819 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