CID 65388

(3-morpholin-4-yl-1-oxa-2-aza-3-azoniacyclopenta-2,4-dien-5-yl)azanide

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
3
Annotation Hits

1600
References

689
Patents

171.0882 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.095476 133.8
[M+Na]+ 194.077418 140.6
[M-H]- 170.080924 137.2
[M+NH4]+ 189.122023 147.9
[M+K]+ 210.051358 135.9
[M+H-H2O]+ 154.085460 127.8
[M+HCOO]- 216.086401 151.8
[M+CH3COO]- 230.102051 170.2
[M+Na-2H]- 192.062866 142.9
[M]+ 171.08765142 129.4
[M]- 171.08874858 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