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]+ 183.12404 141.1
[M+Na]+ 205.10598 148.8
[M-H]- 181.10948 138.3
[M+NH4]+ 200.15058 157.7
[M+K]+ 221.07992 146.1
[M+H-H2O]+ 165.11402 132.4
[M+HCOO]- 227.11496 157.1
[M+CH3COO]- 241.13061 152.1
[M+Na-2H]- 203.09143 146.8
[M]+ 182.11621 139.3
[M]- 182.11731 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.