CID 4348422

1-methyl-1h,4h,5h,6h,7h-[1,2,3]triazolo[4,5-c]pyridine

Structural Information

Molecular Formula
C6H10N4
SMILES
CN1C2=C(CNCC2)N=N1
InChI
InChI=1S/C6H10N4/c1-10-6-2-3-7-4-5(6)8-9-10/h7H,2-4H2,1H3
InChIKey
IHVDOLNSCCKRKP-UHFFFAOYSA-N
Compound name
1-methyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

138.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 129.6
[M+Na]+ 161.07977 138.3
[M-H]- 137.08327 127.1
[M+NH4]+ 156.12437 148.0
[M+K]+ 177.05371 135.6
[M+H-H2O]+ 121.08781 121.4
[M+HCOO]- 183.08875 146.1
[M+CH3COO]- 197.10440 141.6
[M+Na-2H]- 159.06522 136.2
[M]+ 138.09000 125.7
[M]- 138.09110 125.7
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