CID 66489686

1803587-84-9

Structural Information

Molecular Formula
C7H10ClN3
SMILES
C1CCN2C(=NN=C2CCl)C1
InChI
InChI=1S/C7H10ClN3/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-5H2
InChIKey
WMPZNRSMHXNFIK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05632 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 134.6
[M+Na]+ 194.045538 143.8
[M-H]- 170.049044 134.4
[M+NH4]+ 189.090143 154.5
[M+K]+ 210.019478 140.2
[M+H-H2O]+ 154.053580 126.9
[M+HCOO]- 216.054521 148.8
[M+CH3COO]- 230.070171 147.1
[M+Na-2H]- 192.030986 140.8
[M]+ 171.05577142 134.0
[M]- 171.05686858 134.0
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.