CID 71362816

Spiroiminodihydantoin

Structural Information

Molecular Formula
C5H5N5O3
SMILES
C1(=O)C2(C(=O)NC(=O)N2)N=C(N1)N
InChI
InChI=1S/C5H5N5O3/c6-3-7-1(11)5(9-3)2(12)8-4(13)10-5/h(H3,6,7,9,11)(H2,8,10,12,13)
InChIKey
HJWQNCPSKFANJK-UHFFFAOYSA-N
Compound name
2-amino-1,3,6,8-tetrazaspiro[4.4]non-1-ene-4,7,9-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

66
References

22
Patents

183.03925 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.046526 136.4
[M+Na]+ 206.028468 146.3
[M-H]- 182.031974 133.9
[M+NH4]+ 201.073073 154.1
[M+K]+ 222.002408 142.3
[M+H-H2O]+ 166.036510 129.9
[M+HCOO]- 228.037451 152.8
[M+CH3COO]- 242.053101 172.3
[M+Na-2H]- 204.013916 138.7
[M]+ 183.03870142 129.1
[M]- 183.03979858 129.1
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