CID 43162837

1-(1h-imidazol-2-yl)propan-2-amine dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
CC(CC1=NC=CN1)N
InChI
InChI=1S/C6H11N3/c1-5(7)4-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3,(H,8,9)
InChIKey
TXDNYIHPVKNPRJ-UHFFFAOYSA-N
Compound name
1-(1H-imidazol-2-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

125.0953 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.102576 126.4
[M+Na]+ 148.084518 133.4
[M-H]- 124.088024 125.5
[M+NH4]+ 143.129123 146.4
[M+K]+ 164.058458 131.6
[M+H-H2O]+ 108.092560 119.4
[M+HCOO]- 170.093501 147.9
[M+CH3COO]- 184.109151 170.1
[M+Na-2H]- 146.069966 131.4
[M]+ 125.09475142 122.6
[M]- 125.09584858 122.6
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