CID 129981871

{5h,6h,7h-pyrrolo[1,2-a]imidazol-6-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
C1C(CN2C1=NC=C2)CN
InChI
InChI=1S/C7H11N3/c8-4-6-3-7-9-1-2-10(7)5-6/h1-2,6H,3-5,8H2
InChIKey
FWMJQSKHHFOMRI-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.09529 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 127.3
[M+Na]+ 160.08451 135.8
[M-H]- 136.08801 128.9
[M+NH4]+ 155.12911 150.5
[M+K]+ 176.05845 134.0
[M+H-H2O]+ 120.09255 120.5
[M+HCOO]- 182.09349 150.3
[M+CH3COO]- 196.10914 141.1
[M+Na-2H]- 158.06996 132.2
[M]+ 137.09474 125.1
[M]- 137.09584 125.1
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.