CID 63713171

1340063-57-1

Structural Information

Molecular Formula
C8H13ClN4O
SMILES
C1COCCC1CN2C(=NN=N2)CCl
InChI
InChI=1S/C8H13ClN4O/c9-5-8-10-11-12-13(8)6-7-1-3-14-4-2-7/h7H,1-6H2
InChIKey
LKTZQCLOCOEGHC-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(oxan-4-ylmethyl)tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.07779 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08507 146.6
[M+Na]+ 239.06701 154.1
[M-H]- 215.07051 147.3
[M+NH4]+ 234.11161 160.4
[M+K]+ 255.04095 151.8
[M+H-H2O]+ 199.07505 136.6
[M+HCOO]- 261.07599 158.3
[M+CH3COO]- 275.09164 157.5
[M+Na-2H]- 237.05246 150.8
[M]+ 216.07724 145.9
[M]- 216.07834 145.9
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.