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]+ 172.06360 134.6
[M+Na]+ 194.04554 143.8
[M-H]- 170.04904 134.4
[M+NH4]+ 189.09014 154.5
[M+K]+ 210.01948 140.2
[M+H-H2O]+ 154.05358 126.9
[M+HCOO]- 216.05452 148.8
[M+CH3COO]- 230.07017 147.1
[M+Na-2H]- 192.03099 140.8
[M]+ 171.05577 134.0
[M]- 171.05687 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.