CID 75525698

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

Structural Information

Molecular Formula
C4H7ClN4
SMILES
CC(C1=NN=NN1C)Cl
InChI
InChI=1S/C4H7ClN4/c1-3(5)4-6-7-8-9(4)2/h3H,1-2H3
InChIKey
CWEHTQHLQKTEKX-UHFFFAOYSA-N
Compound name
5-(1-chloroethyl)-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.03592 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04320 126.3
[M+Na]+ 169.02514 137.1
[M-H]- 145.02864 124.7
[M+NH4]+ 164.06974 145.0
[M+K]+ 184.99908 135.0
[M+H-H2O]+ 129.03318 118.4
[M+HCOO]- 191.03412 142.0
[M+CH3COO]- 205.04977 173.6
[M+Na-2H]- 167.01059 132.0
[M]+ 146.03537 128.3
[M]- 146.03647 128.3
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

No patent data available for this compound.