CID 13809814

112513-82-3

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1CN2C=CN=C2C1=O
InChI
InChI=1S/C6H6N2O/c9-5-1-3-8-4-2-7-6(5)8/h2,4H,1,3H2
InChIKey
JXQCJYNMPFHDED-UHFFFAOYSA-N
Compound name
5,6-dihydropyrrolo[1,2-a]imidazol-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

122.04801 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.5
[M+Na]+ 145.03723 131.6
[M-H]- 121.04073 123.8
[M+NH4]+ 140.08183 145.8
[M+K]+ 161.01117 130.4
[M+H-H2O]+ 105.04527 115.3
[M+HCOO]- 167.04621 144.8
[M+CH3COO]- 181.06186 136.5
[M+Na-2H]- 143.02268 127.4
[M]+ 122.04746 121.4
[M]- 122.04856 121.4
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