CID 686452

2-methyl-5-(1h-1,2,3,4-tetrazol-1-yl)aniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0858 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 136.4
[M+Na]+ 198.07502 146.7
[M-H]- 174.07852 138.2
[M+NH4]+ 193.11962 152.6
[M+K]+ 214.04896 143.2
[M+H-H2O]+ 158.08306 127.0
[M+HCOO]- 220.08400 158.6
[M+CH3COO]- 234.09965 149.4
[M+Na-2H]- 196.06047 143.0
[M]+ 175.08525 135.3
[M]- 175.08635 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

literature stripe

Patent stripe

No patent data available for this compound.