CID 21443942

23159-59-3

Structural Information

Molecular Formula
C4H7N3O
SMILES
COCC1=NC=NN1
InChI
InChI=1S/C4H7N3O/c1-8-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChIKey
YWXPPKJKSSLZOD-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

113.058914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 120.0
[M+Na]+ 136.04813 129.0
[M-H]- 112.05164 118.3
[M+NH4]+ 131.09274 139.7
[M+K]+ 152.02207 128.1
[M+H-H2O]+ 96.056174 112.6
[M+HCOO]- 158.05712 141.6
[M+CH3COO]- 172.07276 164.0
[M+Na-2H]- 134.03358 127.7
[M]+ 113.05837 119.8
[M]- 113.05946 119.8
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

patents stripe