CID 19429483

3-(5-methyl-1h-imidazol-1-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=CN=CN1CCCN
InChI
InChI=1S/C7H13N3/c1-7-5-9-6-10(7)4-2-3-8/h5-6H,2-4,8H2,1H3
InChIKey
ORGYIMPJXDYEJQ-UHFFFAOYSA-N
Compound name
3-(5-methylimidazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

139.11095 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 129.5
[M+Na]+ 162.100168 137.8
[M-H]- 138.103674 130.1
[M+NH4]+ 157.144773 150.0
[M+K]+ 178.074108 136.1
[M+H-H2O]+ 122.108210 122.3
[M+HCOO]- 184.109151 153.2
[M+CH3COO]- 198.124801 176.0
[M+Na-2H]- 160.085616 135.0
[M]+ 139.11040142 129.0
[M]- 139.11149858 129.0
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