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 153.9
[M+Na]+ 234.19407 158.9
[M-H]- 210.19757 153.2
[M+NH4]+ 229.23867 171.4
[M+K]+ 250.16801 156.2
[M+H-H2O]+ 194.20211 145.6
[M+HCOO]- 256.20305 174.5
[M+CH3COO]- 270.21870 191.5
[M+Na-2H]- 232.17952 155.7
[M]+ 211.20430 153.8
[M]- 211.20540 153.8
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.