CID 14457675

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

Structural Information

Molecular Formula
C8H9N5
SMILES
CN1C(=NN=N1)C2=CC(=CC=C2)N
InChI
InChI=1S/C8H9N5/c1-13-8(10-11-12-13)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChIKey
VBBAMBIEAFCKCS-UHFFFAOYSA-N
Compound name
3-(1-methyltetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
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 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

No literature data available for this compound.

Patent stripe

patents stripe