CID 45791236

1-(3-chloropropyl)-5-methyl-1h-1,2,3,4-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 130.9
[M+Na]+ 183.04079 141.4
[M-H]- 159.04429 128.9
[M+NH4]+ 178.08539 149.0
[M+K]+ 199.01473 138.7
[M+H-H2O]+ 143.04883 122.5
[M+HCOO]- 205.04977 147.2
[M+CH3COO]- 219.06542 175.7
[M+Na-2H]- 181.02624 137.1
[M]+ 160.05102 133.8
[M]- 160.05212 133.8
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