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

41
Patents

175.0858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.093076 136.4
[M+Na]+ 198.075018 146.7
[M-H]- 174.078524 138.2
[M+NH4]+ 193.119623 152.6
[M+K]+ 214.048958 143.2
[M+H-H2O]+ 158.083060 127.0
[M+HCOO]- 220.084001 158.6
[M+CH3COO]- 234.099651 149.4
[M+Na-2H]- 196.060466 143.0
[M]+ 175.08525142 135.3
[M]- 175.08634858 135.3
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

patents stripe