CID 12595134

15284-37-4

Structural Information

Molecular Formula
C4H7ClN4
SMILES
CN1C(=NN=N1)CCCl
InChI
InChI=1S/C4H7ClN4/c1-9-4(2-3-5)6-7-8-9/h2-3H2,1H3
InChIKey
GHSYPYXDDWJATG-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-1-methyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.03592 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.043196 126.3
[M+Na]+ 169.025138 137.3
[M-H]- 145.028644 124.5
[M+NH4]+ 164.069743 145.0
[M+K]+ 184.999078 134.8
[M+H-H2O]+ 129.033180 118.2
[M+HCOO]- 191.034121 143.0
[M+CH3COO]- 205.049771 172.8
[M+Na-2H]- 167.010586 133.1
[M]+ 146.03537142 128.9
[M]- 146.03646858 128.9
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.