CID 67125169

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

Structural Information

Molecular Formula
C6H11N3
SMILES
CC(CN)C1=NC=CN1
InChI
InChI=1S/C6H11N3/c1-5(4-7)6-8-2-3-9-6/h2-3,5H,4,7H2,1H3,(H,8,9)
InChIKey
ZKVYCQSCJORSLS-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

125.0953 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 126.4
[M+Na]+ 148.08452 133.4
[M-H]- 124.08802 125.5
[M+NH4]+ 143.12912 146.4
[M+K]+ 164.05846 131.6
[M+H-H2O]+ 108.09256 119.4
[M+HCOO]- 170.09350 147.9
[M+CH3COO]- 184.10915 170.1
[M+Na-2H]- 146.06997 131.4
[M]+ 125.09475 122.6
[M]- 125.09585 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