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

37
Patents

128.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07709 123.9
[M+Na]+ 151.05903 132.9
[M-H]- 127.06253 122.2
[M+NH4]+ 146.10363 142.6
[M+K]+ 167.03297 131.4
[M+H-H2O]+ 111.06707 116.4
[M+HCOO]- 173.06801 146.0
[M+CH3COO]- 187.08366 169.3
[M+Na-2H]- 149.04448 130.3
[M]+ 128.06926 122.3
[M]- 128.07036 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