CID 199858

3-isopropylsydnone imine hydrochloride

Structural Information

Molecular Formula
C5H10N3O
SMILES
CC(C)[N+]1=NOC(=C1)N
InChI
InChI=1S/C5H10N3O/c1-4(2)8-3-5(6)9-7-8/h3-4H,6H2,1-2H3/q+1
InChIKey
PIMJFZHNWROFJH-UHFFFAOYSA-N
Compound name
3-propan-2-yloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

128.08238 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.08966 123.5
[M+Na]+ 151.07160 132.3
[M-H]- 127.07510 125.5
[M+NH4]+ 146.11620 142.8
[M+K]+ 167.04554 127.5
[M+H-H2O]+ 111.07964 119.6
[M+HCOO]- 173.08058 145.9
[M+CH3COO]- 187.09623 166.0
[M+Na-2H]- 149.05705 132.2
[M]+ 128.08183 122.3
[M]- 128.08293 122.3
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