CID 66001443

1-(2-methoxyethyl)-1h,4h,5h,6h,7h-[1,2,3]triazolo[4,5-c]pyridine

Structural Information

Molecular Formula
C8H14N4O
SMILES
COCCN1C2=C(CNCC2)N=N1
InChI
InChI=1S/C8H14N4O/c1-13-5-4-12-8-2-3-9-6-7(8)10-11-12/h9H,2-6H2,1H3
InChIKey
GNMSTEOVIGIVCR-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 141.1
[M+Na]+ 205.105978 148.8
[M-H]- 181.109484 138.3
[M+NH4]+ 200.150583 157.7
[M+K]+ 221.079918 146.1
[M+H-H2O]+ 165.114020 132.4
[M+HCOO]- 227.114961 157.1
[M+CH3COO]- 241.130611 152.1
[M+Na-2H]- 203.091426 146.8
[M]+ 182.11621142 139.3
[M]- 182.11730858 139.3
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

No patent data available for this compound.