CID 92797392

[(5s)-5h,6h,7h-pyrrolo[1,2-a]imidazol-5-yl]methanol

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1CC2=NC=CN2[C@@H]1CO
InChI
InChI=1S/C7H10N2O/c10-5-6-1-2-7-8-3-4-9(6)7/h3-4,6,10H,1-2,5H2/t6-/m0/s1
InChIKey
NVRFCMKWUJAVNV-LURJTMIESA-N
Compound name
[(5S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.07932 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.7
[M+Na]+ 161.06854 136.6
[M-H]- 137.07204 128.5
[M+NH4]+ 156.11314 150.7
[M+K]+ 177.04248 134.9
[M+H-H2O]+ 121.07658 121.5
[M+HCOO]- 183.07752 149.0
[M+CH3COO]- 197.09317 141.5
[M+Na-2H]- 159.05399 132.6
[M]+ 138.07877 126.8
[M]- 138.07987 126.8
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

No patent data available for this compound.