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

126
Patents

153.1266 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 134.0
[M+Na]+ 176.11582 141.9
[M-H]- 152.11932 134.4
[M+NH4]+ 171.16042 154.0
[M+K]+ 192.08976 139.9
[M+H-H2O]+ 136.12386 126.6
[M+HCOO]- 198.12480 157.4
[M+CH3COO]- 212.14045 179.1
[M+Na-2H]- 174.10127 139.0
[M]+ 153.12605 133.9
[M]- 153.12715 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