CID 9588638

Brn 4418803

Structural Information

Molecular Formula
C10H14N4
SMILES
CCN\1CCC/C1=N\C2=NC=CC=N2
InChI
InChI=1S/C10H14N4/c1-2-14-8-3-5-9(14)13-10-11-6-4-7-12-10/h4,6-7H,2-3,5,8H2,1H3/b13-9+
InChIKey
VEHFXPQZMNEVJH-UKTHLTGXSA-N
Compound name
(E)-1-ethyl-N-pyrimidin-2-ylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12184 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.12912 142.0
[M+Na]+ 213.11106 149.1
[M-H]- 189.11456 145.6
[M+NH4]+ 208.15566 159.5
[M+K]+ 229.08500 146.7
[M+H-H2O]+ 173.11910 132.3
[M+HCOO]- 235.12004 164.4
[M+CH3COO]- 249.13569 185.9
[M+Na-2H]- 211.09651 147.7
[M]+ 190.12129 139.9
[M]- 190.12239 139.9
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

No patent data available for this compound.