CID 283415

1-(4-methylphenyl)-1h-tetrazol-5-amine

Structural Information

Molecular Formula
C8H9N5
SMILES
CC1=CC=C(C=C1)N2C(=NN=N2)N
InChI
InChI=1S/C8H9N5/c1-6-2-4-7(5-3-6)13-8(9)10-11-12-13/h2-5H,1H3,(H2,9,10,12)
InChIKey
ZJBHCZGOFWRDTG-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)tetrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

175.0858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 135.7
[M+Na]+ 198.07502 149.1
[M+NH4]+ 193.11962 143.0
[M+K]+ 214.04896 145.3
[M-H]- 174.07852 137.8
[M+Na-2H]- 196.06047 144.1
[M]+ 175.08525 138.0
[M]- 175.08635 138.0
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