CID 307982

5-methoxy-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C3H6N4O
SMILES
COC1=NNC(=N1)N
InChI
InChI=1S/C3H6N4O/c1-8-3-5-2(4)6-7-3/h1H3,(H3,4,5,6,7)
InChIKey
JUHWLXRDVSBGOO-UHFFFAOYSA-N
Compound name
3-methoxy-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

114.05416 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 119.4
[M+Na]+ 137.04338 128.9
[M-H]- 113.04688 117.9
[M+NH4]+ 132.08798 138.7
[M+K]+ 153.01732 127.6
[M+H-H2O]+ 97.051420 112.1
[M+HCOO]- 159.05236 141.8
[M+CH3COO]- 173.06801 166.3
[M+Na-2H]- 135.02883 126.4
[M]+ 114.05361 117.5
[M]- 114.05471 117.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe