CID 54593796

2287334-62-5

Structural Information

Molecular Formula
C9H11N5
SMILES
CC(C1=NN=NN1C2=CC=CC=C2)N
InChI
InChI=1S/C9H11N5/c1-7(10)9-11-12-13-14(9)8-5-3-2-4-6-8/h2-7H,10H2,1H3
InChIKey
BUPTXQPXEKDURQ-UHFFFAOYSA-N
Compound name
1-(1-phenyltetrazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.10144 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.108716 140.5
[M+Na]+ 212.090658 149.1
[M-H]- 188.094164 142.0
[M+NH4]+ 207.135263 155.8
[M+K]+ 228.064598 146.0
[M+H-H2O]+ 172.098700 130.8
[M+HCOO]- 234.099641 161.4
[M+CH3COO]- 248.115291 152.6
[M+Na-2H]- 210.076106 146.2
[M]+ 189.10089142 138.8
[M]- 189.10198858 138.8
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.