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

1
Patents

113.0953 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.10258 123.9
[M+Na]+ 136.08452 130.3
[M-H]- 112.08802 122.8
[M+NH4]+ 131.12912 144.3
[M+K]+ 152.05846 129.0
[M+H-H2O]+ 96.092560 117.0
[M+HCOO]- 158.09350 144.3
[M+CH3COO]- 172.10915 167.4
[M+Na-2H]- 134.06997 128.4
[M]+ 113.09475 118.3
[M]- 113.09585 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