CID 69092733

2416237-42-6

Structural Information

Molecular Formula
C7H8N4
SMILES
C1=CN2C=NN=C2C=C1CN
InChI
InChI=1S/C7H8N4/c8-4-6-1-2-11-5-9-10-7(11)3-6/h1-3,5H,4,8H2
InChIKey
RJOLOOGTOLNILX-UHFFFAOYSA-N
Compound name
[1,2,4]triazolo[4,3-a]pyridin-7-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.07489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 126.8
[M+Na]+ 171.06411 137.8
[M-H]- 147.06761 127.7
[M+NH4]+ 166.10871 146.8
[M+K]+ 187.03805 134.7
[M+H-H2O]+ 131.07215 119.1
[M+HCOO]- 193.07309 150.7
[M+CH3COO]- 207.08874 141.0
[M+Na-2H]- 169.04956 136.5
[M]+ 148.07434 127.3
[M]- 148.07544 127.3
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

patents stripe