CID 605590

90797-31-2

Structural Information

Molecular Formula
C9H14ClN5
SMILES
C1CCN(CC1)C2=NC(=NC(=N2)N)CCl
InChI
InChI=1S/C9H14ClN5/c10-6-7-12-8(11)14-9(13-7)15-4-2-1-3-5-15/h1-6H2,(H2,11,12,13,14)
InChIKey
VLGDSUDZOVZMHX-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

227.09378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10106 151.3
[M+Na]+ 250.08300 158.7
[M-H]- 226.08650 151.2
[M+NH4]+ 245.12760 164.0
[M+K]+ 266.05694 153.7
[M+H-H2O]+ 210.09104 141.3
[M+HCOO]- 272.09198 163.2
[M+CH3COO]- 286.10763 161.3
[M+Na-2H]- 248.06845 156.4
[M]+ 227.09323 147.2
[M]- 227.09433 147.2
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