CID 11116051

196862-45-0

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1[C@H](CN2C1=NC=C2)O
InChI
InChI=1S/C6H8N2O/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2/t5-/m1/s1
InChIKey
OLXNUSXUUWAEGE-RXMQYKEDSA-N
Compound name
(6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

124.06366 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 123.1
[M+Na]+ 147.052878 132.5
[M-H]- 123.056384 124.0
[M+NH4]+ 142.097483 146.7
[M+K]+ 163.026818 130.9
[M+H-H2O]+ 107.060920 117.1
[M+HCOO]- 169.061861 144.7
[M+CH3COO]- 183.077511 137.3
[M+Na-2H]- 145.038326 128.5
[M]+ 124.06311142 121.8
[M]- 124.06420858 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

No literature data available for this compound.

Patent stripe

patents stripe