CID 13809811

112513-79-8

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1CN2C=CN=C2C1O
InChI
InChI=1S/C6H8N2O/c9-5-1-3-8-4-2-7-6(5)8/h2,4-5,9H,1,3H2
InChIKey
ZNTOIYUPLXOHAS-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

124.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 123.1
[M+Na]+ 147.05288 132.5
[M-H]- 123.05638 124.0
[M+NH4]+ 142.09748 146.7
[M+K]+ 163.02682 130.9
[M+H-H2O]+ 107.06092 117.1
[M+HCOO]- 169.06186 144.7
[M+CH3COO]- 183.07751 137.3
[M+Na-2H]- 145.03833 128.5
[M]+ 124.06311 121.8
[M]- 124.06421 121.8
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