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]+ 183.12404 140.2
[M+Na]+ 205.10598 145.9
[M-H]- 181.10948 141.1
[M+NH4]+ 200.15058 154.9
[M+K]+ 221.07992 144.0
[M+H-H2O]+ 165.11402 131.3
[M+HCOO]- 227.11496 157.2
[M+CH3COO]- 241.13061 151.1
[M+Na-2H]- 203.09143 144.5
[M]+ 182.11621 134.0
[M]- 182.11731 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.