CID 88580

1-(2-aminoethyl)-2-heptyl-2-imidazoline

Structural Information

Molecular Formula
C12H25N3
SMILES
CCCCCCCC1=NCCN1CCN
InChI
InChI=1S/C12H25N3/c1-2-3-4-5-6-7-12-14-9-11-15(12)10-8-13/h2-11,13H2,1H3
InChIKey
LIOIKZJJHQUNKR-UHFFFAOYSA-N
Compound name
2-(2-heptyl-4,5-dihydroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.20485 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.21213 153.4
[M+Na]+ 234.19407 162.1
[M+NH4]+ 229.23867 160.3
[M+K]+ 250.16801 157.1
[M-H]- 210.19757 153.9
[M+Na-2H]- 232.17952 156.6
[M]+ 211.20430 154.4
[M]- 211.20540 154.4
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

No patent data available for this compound.