CID 84110719

1-methyl-3-(oxan-4-yl)-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula
C8H14N4O
SMILES
CN1C(=NC(=N1)C2CCOCC2)N
InChI
InChI=1S/C8H14N4O/c1-12-8(9)10-7(11-12)6-2-4-13-5-3-6/h6H,2-5H2,1H3,(H2,9,10,11)
InChIKey
APLFLTVZOUDTFG-UHFFFAOYSA-N
Compound name
2-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 140.5
[M+Na]+ 205.10598 147.7
[M-H]- 181.10948 143.2
[M+NH4]+ 200.15058 156.2
[M+K]+ 221.07992 146.5
[M+H-H2O]+ 165.11402 131.7
[M+HCOO]- 227.11496 159.0
[M+CH3COO]- 241.13061 152.4
[M+Na-2H]- 203.09143 144.5
[M]+ 182.11621 136.6
[M]- 182.11731 136.6
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.