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

56
Patents

122.04801 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 121.5
[M+Na]+ 145.037228 131.6
[M-H]- 121.040734 123.8
[M+NH4]+ 140.081833 145.8
[M+K]+ 161.011168 130.4
[M+H-H2O]+ 105.045270 115.3
[M+HCOO]- 167.046211 144.8
[M+CH3COO]- 181.061861 136.5
[M+Na-2H]- 143.022676 127.4
[M]+ 122.04746142 121.4
[M]- 122.04855858 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