CID 91640912

5-chloro-1-(methoxymethyl)-3-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C5H8ClN3O
SMILES
CC1=NN(C(=N1)Cl)COC
InChI
InChI=1S/C5H8ClN3O/c1-4-7-5(6)9(8-4)3-10-2/h3H2,1-2H3
InChIKey
GFKPSDNOKIMTDK-UHFFFAOYSA-N
Compound name
5-chloro-1-(methoxymethyl)-3-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.03558 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.04286 129.3
[M+Na]+ 184.02480 142.3
[M+NH4]+ 179.06940 136.9
[M+K]+ 199.99874 138.3
[M-H]- 160.02830 128.8
[M+Na-2H]- 182.01025 135.0
[M]+ 161.03503 131.1
[M]- 161.03613 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.