CID 210892

21868-41-7

Structural Information

Molecular Formula
C8H12ClN5O
SMILES
C1COCCN1C2=NC(=NC(=N2)N)CCl
InChI
InChI=1S/C8H12ClN5O/c9-5-6-11-7(10)13-8(12-6)14-1-3-15-4-2-14/h1-5H2,(H2,10,11,12,13)
InChIKey
MFAGDEITRDZSFJ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

229.07304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.080316 151.1
[M+Na]+ 252.062258 159.0
[M-H]- 228.065764 151.8
[M+NH4]+ 247.106863 162.3
[M+K]+ 268.036198 155.6
[M+H-H2O]+ 212.070300 141.0
[M+HCOO]- 274.071241 162.5
[M+CH3COO]- 288.086891 161.4
[M+Na-2H]- 250.047706 157.0
[M]+ 229.07249142 148.6
[M]- 229.07358858 148.6
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

patents stripe