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]+ 256.059576 145.0
[M+Na]+ 278.041518 154.1
[M-H]- 254.045024 144.2
[M+NH4]+ 273.086123 153.8
[M+K]+ 294.015458 151.0
[M+H-H2O]+ 238.049560 127.8
[M+HCOO]- 300.050501 153.0
[M+CH3COO]- 314.066151 153.9
[M+Na-2H]- 276.026966 151.0
[M]+ 255.05175142 140.2
[M]- 255.05284858 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.