CID 45791236

1-(3-chloropropyl)-5-methyl-1h-tetrazole

Structural Information

Molecular Formula
C5H9ClN4
SMILES
CC1=NN=NN1CCCCl
InChI
InChI=1S/C5H9ClN4/c1-5-7-8-9-10(5)4-2-3-6/h2-4H2,1H3
InChIKey
QDLVWAITKXNFIR-UHFFFAOYSA-N
Compound name
1-(3-chloropropyl)-5-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.05157 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05885 130.6
[M+Na]+ 183.04079 143.5
[M+NH4]+ 178.08539 138.0
[M+K]+ 199.01473 139.0
[M-H]- 159.04429 129.7
[M+Na-2H]- 181.02624 136.5
[M]+ 160.05102 132.3
[M]- 160.05212 132.3
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

patents stripe