CID 3071536

Brn 5442952

Structural Information

Molecular Formula
C9H10ClN5O2
SMILES
C1COCCN1C2=NC(=NC(=N2)Cl)OCC#N
InChI
InChI=1S/C9H10ClN5O2/c10-7-12-8(15-2-5-16-6-3-15)14-9(13-7)17-4-1-11/h2-6H2
InChIKey
HSWGVCPCFORPGI-UHFFFAOYSA-N
Compound name
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.0523 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05958 145.0
[M+Na]+ 278.04152 154.1
[M-H]- 254.04502 144.2
[M+NH4]+ 273.08612 153.8
[M+K]+ 294.01546 151.0
[M+H-H2O]+ 238.04956 127.8
[M+HCOO]- 300.05050 153.0
[M+CH3COO]- 314.06615 153.9
[M+Na-2H]- 276.02697 151.0
[M]+ 255.05175 140.2
[M]- 255.05285 140.2
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

No patent data available for this compound.