CID 12205081

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

Structural Information

Molecular Formula
C3H5ClN4
SMILES
CN1N=C(N=N1)CCl
InChI
InChI=1S/C3H5ClN4/c1-8-6-3(2-4)5-7-8/h2H2,1H3
InChIKey
YGFXNNJIVZUYCL-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

132.02028 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe