CID 165889490

2839144-61-3

Structural Information

Molecular Formula
C8H12ClN5
SMILES
C1CN(CCC1N)C2=NC(=NC=N2)Cl
InChI
InChI=1S/C8H12ClN5/c9-7-11-5-12-8(13-7)14-3-1-6(10)2-4-14/h5-6H,1-4,10H2
InChIKey
NXFXEQNLABZXGN-UHFFFAOYSA-N
Compound name
1-(4-chloro-1,3,5-triazin-2-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.07812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.085396 147.0
[M+Na]+ 236.067338 154.9
[M-H]- 212.070844 147.0
[M+NH4]+ 231.111943 160.2
[M+K]+ 252.041278 150.0
[M+H-H2O]+ 196.075380 137.2
[M+HCOO]- 258.076321 159.2
[M+CH3COO]- 272.091971 157.4
[M+Na-2H]- 234.052786 152.6
[M]+ 213.07757142 142.6
[M]- 213.07866858 142.6
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.