CID 86775246

5-(1-chloroethyl)-1-cyclopropyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C6H9ClN4
SMILES
CC(C1=NN=NN1C2CC2)Cl
InChI
InChI=1S/C6H9ClN4/c1-4(7)6-8-9-10-11(6)5-2-3-5/h4-5H,2-3H2,1H3
InChIKey
DDBQECGXKYFQCZ-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-1-cyclopropyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.05157 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05885 143.2
[M+Na]+ 195.04079 154.7
[M-H]- 171.04429 145.0
[M+NH4]+ 190.08539 155.8
[M+K]+ 211.01473 150.0
[M+H-H2O]+ 155.04883 134.0
[M+HCOO]- 217.04977 158.9
[M+CH3COO]- 231.06542 155.1
[M+Na-2H]- 193.02624 147.0
[M]+ 172.05102 146.4
[M]- 172.05212 146.4
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.