CID 9588639

2-pyrimidinamine, n-(1-butyl-2-pyrrolidinylidene)-

Structural Information

Molecular Formula
C12H18N4
SMILES
CCCCN\1CCC/C1=N\C2=NC=CC=N2
InChI
InChI=1S/C12H18N4/c1-2-3-9-16-10-4-6-11(16)15-12-13-7-5-8-14-12/h5,7-8H,2-4,6,9-10H2,1H3/b15-11+
InChIKey
KKTQBIYUGLGQSO-RVDMUPIBSA-N
Compound name
(E)-1-butyl-N-pyrimidin-2-ylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.160426 150.9
[M+Na]+ 241.142368 157.1
[M-H]- 217.145874 154.2
[M+NH4]+ 236.186973 167.2
[M+K]+ 257.116308 154.2
[M+H-H2O]+ 201.150410 140.8
[M+HCOO]- 263.151351 172.6
[M+CH3COO]- 277.167001 191.9
[M+Na-2H]- 239.127816 155.5
[M]+ 218.15260142 149.5
[M]- 218.15369858 149.5
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.