CID 62737356

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

Structural Information

Molecular Formula
C7H11ClN4O
SMILES
C1COCCC1N2C(=NN=N2)CCl
InChI
InChI=1S/C7H11ClN4O/c8-5-7-9-10-11-12(7)6-1-3-13-4-2-6/h6H,1-5H2
InChIKey
FWVVAFAHAVMSBX-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(oxan-4-yl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.06213 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.069406 142.2
[M+Na]+ 225.051348 150.1
[M-H]- 201.054854 143.0
[M+NH4]+ 220.095953 156.5
[M+K]+ 241.025288 148.0
[M+H-H2O]+ 185.059390 132.4
[M+HCOO]- 247.060331 154.1
[M+CH3COO]- 261.075981 153.5
[M+Na-2H]- 223.036796 146.9
[M]+ 202.06158142 141.1
[M]- 202.06267858 141.1
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.