CID 9588640

Brn 4441856

Structural Information

Molecular Formula
C11H16N4
SMILES
CN\1CCCCC/C1=N\C2=NC=CC=N2
InChI
InChI=1S/C11H16N4/c1-15-9-4-2-3-6-10(15)14-11-12-7-5-8-13-11/h5,7-8H,2-4,6,9H2,1H3/b14-10+
InChIKey
PVUPLMWQCJFOOU-GXDHUFHOSA-N
Compound name
(E)-1-methyl-N-pyrimidin-2-ylazepan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14478 145.2
[M+Na]+ 227.12672 149.7
[M-H]- 203.13022 149.3
[M+NH4]+ 222.17132 159.1
[M+K]+ 243.10066 151.3
[M+H-H2O]+ 187.13476 134.4
[M+HCOO]- 249.13570 164.3
[M+CH3COO]- 263.15135 155.9
[M+Na-2H]- 225.11217 151.5
[M]+ 204.13695 138.3
[M]- 204.13805 138.3
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.