CID 11970858

84712-72-1

Structural Information

Molecular Formula
C8H12ClN5
SMILES
C1CCC(C1)NC2=NC(=NC(=N2)N)Cl
InChI
InChI=1S/C8H12ClN5/c9-6-12-7(10)14-8(13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H3,10,11,12,13,14)
InChIKey
AMEQGMVFTOUTHW-UHFFFAOYSA-N
Compound name
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.07812 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.085396 145.2
[M+Na]+ 236.067338 153.1
[M-H]- 212.070844 147.2
[M+NH4]+ 231.111943 161.5
[M+K]+ 252.041278 148.6
[M+H-H2O]+ 196.075380 136.2
[M+HCOO]- 258.076321 162.2
[M+CH3COO]- 272.091971 156.7
[M+Na-2H]- 234.052786 149.7
[M]+ 213.07757142 141.8
[M]- 213.07866858 141.8
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

patents stripe