CID 21242212

1-(4,5-dihydro-1h-imidazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C5H11N3
SMILES
CC(C1=NCCN1)N
InChI
InChI=1S/C5H11N3/c1-4(6)5-7-2-3-8-5/h4H,2-3,6H2,1H3,(H,7,8)
InChIKey
FJXILFHTWZGIGF-UHFFFAOYSA-N
Compound name
1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

113.0953 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.102576 123.9
[M+Na]+ 136.084518 130.3
[M-H]- 112.088024 122.8
[M+NH4]+ 131.129123 144.3
[M+K]+ 152.058458 129.0
[M+H-H2O]+ 96.092560 117.0
[M+HCOO]- 158.093501 144.3
[M+CH3COO]- 172.109151 167.4
[M+Na-2H]- 134.069966 128.4
[M]+ 113.09475142 118.3
[M]- 113.09584858 118.3
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