CID 6484134

3-(2-ethyl-1h-imidazol-1-yl)-1-propanamine

Structural Information

Molecular Formula
C8H15N3
SMILES
CCC1=NC=CN1CCCN
InChI
InChI=1S/C8H15N3/c1-2-8-10-5-7-11(8)6-3-4-9/h5,7H,2-4,6,9H2,1H3
InChIKey
QWBQWONZMPWCIT-UHFFFAOYSA-N
Compound name
3-(2-ethylimidazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

153.1266 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 134.0
[M+Na]+ 176.115818 141.9
[M-H]- 152.119324 134.4
[M+NH4]+ 171.160423 154.0
[M+K]+ 192.089758 139.9
[M+H-H2O]+ 136.123860 126.6
[M+HCOO]- 198.124801 157.4
[M+CH3COO]- 212.140451 179.1
[M+Na-2H]- 174.101266 139.0
[M]+ 153.12605142 133.9
[M]- 153.12714858 133.9
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