CID 3794450

3-(methoxymethyl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C4H8N4O
SMILES
COCC1=NC(=NN1)N
InChI
InChI=1S/C4H8N4O/c1-9-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8)
InChIKey
HYLMHQTVTUXWRX-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

128.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 123.9
[M+Na]+ 151.059028 132.9
[M-H]- 127.062534 122.2
[M+NH4]+ 146.103633 142.6
[M+K]+ 167.032968 131.4
[M+H-H2O]+ 111.067070 116.4
[M+HCOO]- 173.068011 146.0
[M+CH3COO]- 187.083661 169.3
[M+Na-2H]- 149.044476 130.3
[M]+ 128.06926142 122.3
[M]- 128.07035858 122.3
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