CID 9588637

Brn 4414505

Structural Information

Molecular Formula
C9H12N4
SMILES
CN\1CCC/C1=N\C2=NC=CC=N2
InChI
InChI=1S/C9H12N4/c1-13-7-2-4-8(13)12-9-10-5-3-6-11-9/h3,5-6H,2,4,7H2,1H3/b12-8+
InChIKey
MHVUFEAVIBLHDK-XYOKQWHBSA-N
Compound name
(E)-1-methyl-N-pyrimidin-2-ylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.1062 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11348 137.6
[M+Na]+ 199.09542 145.1
[M-H]- 175.09892 141.3
[M+NH4]+ 194.14002 155.6
[M+K]+ 215.06936 142.9
[M+H-H2O]+ 159.10346 128.1
[M+HCOO]- 221.10440 160.3
[M+CH3COO]- 235.12005 150.4
[M+Na-2H]- 197.08087 143.8
[M]+ 176.10565 135.1
[M]- 176.10675 135.1
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.