CID 2827922

4-(5-methyl-1h-tetrazol-1-yl)aniline

Structural Information

Molecular Formula
C8H9N5
SMILES
CC1=NN=NN1C2=CC=C(C=C2)N
InChI
InChI=1S/C8H9N5/c1-6-10-11-12-13(6)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
InChIKey
NWSABTXLPRLZII-UHFFFAOYSA-N
Compound name
4-(5-methyltetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

175.0858 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe