CID 12205086

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

Structural Information

Molecular Formula
C3H5ClN4
SMILES
CN1C(=NN=N1)CCl
InChI
InChI=1S/C3H5ClN4/c1-8-3(2-4)5-6-7-8/h2H2,1H3
InChIKey
QVMQSOGTBSMUQG-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

244
Patents

132.02028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02756 121.8
[M+Na]+ 155.00950 133.2
[M-H]- 131.01300 120.1
[M+NH4]+ 150.05410 141.0
[M+K]+ 170.98344 131.0
[M+H-H2O]+ 115.01754 113.9
[M+HCOO]- 177.01848 138.7
[M+CH3COO]- 191.03413 169.8
[M+Na-2H]- 152.99495 129.1
[M]+ 132.01973 124.0
[M]- 132.02083 124.0
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