CID 9588639

N-(1-butyl-2-pyrrolidinylidene)-2-pyrimidinamine

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]+ 219.16043 150.9
[M+Na]+ 241.14237 157.1
[M-H]- 217.14587 154.2
[M+NH4]+ 236.18697 167.2
[M+K]+ 257.11631 154.2
[M+H-H2O]+ 201.15041 140.8
[M+HCOO]- 263.15135 172.6
[M+CH3COO]- 277.16700 191.9
[M+Na-2H]- 239.12782 155.5
[M]+ 218.15260 149.5
[M]- 218.15370 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.