CID 9588640

2-pyrimidinamine, n-(hexahydro-1-methyl-2h-azepin-2-ylidene)-

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]+ 205.144776 145.2
[M+Na]+ 227.126718 149.7
[M-H]- 203.130224 149.3
[M+NH4]+ 222.171323 159.1
[M+K]+ 243.100658 151.3
[M+H-H2O]+ 187.134760 134.4
[M+HCOO]- 249.135701 164.3
[M+CH3COO]- 263.151351 155.9
[M+Na-2H]- 225.112166 151.5
[M]+ 204.13695142 138.3
[M]- 204.13804858 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.