CID 82418967

(1-methyl-4,5-dihydro-1h-imidazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C5H11N3
SMILES
CN1CCN=C1CN
InChI
InChI=1S/C5H11N3/c1-8-3-2-7-5(8)4-6/h2-4,6H2,1H3
InChIKey
OPNWKBXQNZRYFX-UHFFFAOYSA-N
Compound name
(1-methyl-4,5-dihydroimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.0953 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.10258 122.4
[M+Na]+ 136.08452 130.5
[M-H]- 112.08802 123.0
[M+NH4]+ 131.12912 143.9
[M+K]+ 152.05846 129.6
[M+H-H2O]+ 96.092560 115.6
[M+HCOO]- 158.09350 145.4
[M+CH3COO]- 172.10915 170.3
[M+Na-2H]- 134.06997 127.9
[M]+ 113.09475 119.8
[M]- 113.09585 119.8
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.