CID 43424025

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

Structural Information

Molecular Formula
C9H11N5
SMILES
CCC1=NN=NN1C2=CC=CC=C2N
InChI
InChI=1S/C9H11N5/c1-2-9-11-12-13-14(9)8-6-4-3-5-7(8)10/h3-6H,2,10H2,1H3
InChIKey
RKDBAIPIRPUNSD-UHFFFAOYSA-N
Compound name
2-(5-ethyltetrazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10144 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.108716 140.8
[M+Na]+ 212.090658 150.7
[M-H]- 188.094164 142.5
[M+NH4]+ 207.135263 156.5
[M+K]+ 228.064598 147.0
[M+H-H2O]+ 172.098700 131.2
[M+HCOO]- 234.099641 162.7
[M+CH3COO]- 248.115291 153.4
[M+Na-2H]- 210.076106 146.9
[M]+ 189.10089142 140.1
[M]- 189.10198858 140.1
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

No patent data available for this compound.