CID 75464773

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

Structural Information

Molecular Formula
C4H6ClN3O
SMILES
COCN1C(=NC=N1)Cl
InChI
InChI=1S/C4H6ClN3O/c1-9-3-8-4(5)6-2-7-8/h2H,3H2,1H3
InChIKey
PYFUOGDEONKDTF-UHFFFAOYSA-N
Compound name
5-chloro-1-(methoxymethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.01994 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02722 124.6
[M+Na]+ 170.00916 135.6
[M-H]- 146.01266 124.3
[M+NH4]+ 165.05376 144.7
[M+K]+ 185.98310 133.6
[M+H-H2O]+ 130.01720 117.5
[M+HCOO]- 192.01814 142.9
[M+CH3COO]- 206.03379 171.7
[M+Na-2H]- 167.99461 131.6
[M]+ 147.01939 128.2
[M]- 147.02049 128.2
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.