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]+ 115.07401 118.2
[M+Na]+ 137.05595 127.8
[M-H]- 113.05946 120.2
[M+NH4]+ 132.10056 138.2
[M+K]+ 153.02989 122.7
[M+H-H2O]+ 97.063994 114.4
[M+HCOO]- 159.06494 142.0
[M+CH3COO]- 173.08058 162.2
[M+Na-2H]- 135.04140 128.7
[M]+ 114.06619 117.3
[M]- 114.06728 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