CID 67604632

1513374-36-1

Structural Information

Molecular Formula
C8H9N5
SMILES
CNC1=CC=CC=C1C2=NNN=N2
InChI
InChI=1S/C8H9N5/c1-9-7-5-3-2-4-6(7)8-10-12-13-11-8/h2-5,9H,1H3,(H,10,11,12,13)
InChIKey
OLYFYIGOHJVYJK-UHFFFAOYSA-N
Compound name
N-methyl-2-(2H-tetrazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

175.0858 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09308 135.8
[M+Na]+ 198.07502 144.7
[M-H]- 174.07852 136.4
[M+NH4]+ 193.11962 151.2
[M+K]+ 214.04896 140.7
[M+H-H2O]+ 158.08306 126.4
[M+HCOO]- 220.08400 157.2
[M+CH3COO]- 234.09965 148.0
[M+Na-2H]- 196.06047 143.8
[M]+ 175.08525 133.5
[M]- 175.08635 133.5
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