CID 65388

Sin-1 hydrochloride

Structural Information

Molecular Formula
C6H11N4O2
SMILES
C1COCCN1[N+]2=NOC(=C2)N
InChI
InChI=1S/C6H11N4O2/c7-6-5-10(8-12-6)9-1-3-11-4-2-9/h5H,1-4,7H2/q+1
InChIKey
XZYRDNUZENBYFI-UHFFFAOYSA-N
Compound name
3-morpholin-4-yloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

675
References

646
Patents

171.0882 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09548 133.8
[M+Na]+ 194.07742 140.6
[M-H]- 170.08092 137.2
[M+NH4]+ 189.12202 147.9
[M+K]+ 210.05136 135.9
[M+H-H2O]+ 154.08546 127.8
[M+HCOO]- 216.08640 151.8
[M+CH3COO]- 230.10205 170.2
[M+Na-2H]- 192.06287 142.9
[M]+ 171.08765 129.4
[M]- 171.08875 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe