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

0
Patents

229.07304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08032 151.1
[M+Na]+ 252.06226 159.0
[M-H]- 228.06576 151.8
[M+NH4]+ 247.10686 162.3
[M+K]+ 268.03620 155.6
[M+H-H2O]+ 212.07030 141.0
[M+HCOO]- 274.07124 162.5
[M+CH3COO]- 288.08689 161.4
[M+Na-2H]- 250.04771 157.0
[M]+ 229.07249 148.6
[M]- 229.07359 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

No patent data available for this compound.