CID 13590

2-ethyl-2-imidazoline

Structural Information

Molecular Formula
C5H10N2
SMILES
CCC1=NCCN1
InChI
InChI=1S/C5H10N2/c1-2-5-6-3-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKey
QUPKCFBHJFNUEW-UHFFFAOYSA-N
Compound name
2-ethyl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2012
Patents

98.0844 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 119.3
[M+Na]+ 121.07362 126.9
[M-H]- 97.077124 118.6
[M+NH4]+ 116.11822 141.0
[M+K]+ 137.04756 125.7
[M+H-H2O]+ 81.081660 112.9
[M+HCOO]- 143.08260 140.3
[M+CH3COO]- 157.09825 162.5
[M+Na-2H]- 119.05907 125.7
[M]+ 98.083851 116.2
[M]- 98.084949 116.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe