CID 200089

Sydnone imine, 3-ethyl-, monohydrochloride

Structural Information

Molecular Formula
C4H8N3O
SMILES
CC[N+]1=NOC(=C1)N
InChI
InChI=1S/C4H8N3O/c1-2-7-3-4(5)8-6-7/h3H,2,5H2,1H3/q+1
InChIKey
MRPQTUPXKOTSRQ-UHFFFAOYSA-N
Compound name
3-ethyloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

114.066734 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.074010 118.2
[M+Na]+ 137.055952 127.8
[M-H]- 113.059458 120.2
[M+NH4]+ 132.100557 138.2
[M+K]+ 153.029892 122.7
[M+H-H2O]+ 97.063994 114.4
[M+HCOO]- 159.064935 142.0
[M+CH3COO]- 173.080585 162.2
[M+Na-2H]- 135.041400 128.7
[M]+ 114.06618542 117.3
[M]- 114.06728258 117.3
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