CID 167735452

4-(chloromethyl)-2-(oxan-2-yl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C8H12ClN3O
SMILES
C1CCOC(C1)N2N=CC(=N2)CCl
InChI
InChI=1S/C8H12ClN3O/c9-5-7-6-10-12(11-7)8-3-1-2-4-13-8/h6,8H,1-5H2
InChIKey
UTFNGDCRIJKGDN-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(oxan-2-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0669 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.074176 142.4
[M+Na]+ 224.056118 149.9
[M-H]- 200.059624 144.6
[M+NH4]+ 219.100723 158.3
[M+K]+ 240.030058 147.7
[M+H-H2O]+ 184.064160 133.5
[M+HCOO]- 246.065101 155.5
[M+CH3COO]- 260.080751 154.1
[M+Na-2H]- 222.041566 146.9
[M]+ 201.06635142 141.3
[M]- 201.06744858 141.3
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.