CID 65335042

2059937-95-8

Structural Information

Molecular Formula
C8H14N4O
SMILES
C1COCCC1C2=NNC(=N2)CN
InChI
InChI=1S/C8H14N4O/c9-5-7-10-8(12-11-7)6-1-3-13-4-2-6/h6H,1-5,9H2,(H,10,11,12)
InChIKey
VQXSKHZPJBCSIZ-UHFFFAOYSA-N
Compound name
[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 140.2
[M+Na]+ 205.105978 145.9
[M-H]- 181.109484 141.1
[M+NH4]+ 200.150583 154.9
[M+K]+ 221.079918 144.0
[M+H-H2O]+ 165.114020 131.3
[M+HCOO]- 227.114961 157.2
[M+CH3COO]- 241.130611 151.1
[M+Na-2H]- 203.091426 144.5
[M]+ 182.11621142 134.0
[M]- 182.11730858 134.0
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.