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]+ 190.10872 140.5
[M+Na]+ 212.09066 149.1
[M-H]- 188.09416 142.0
[M+NH4]+ 207.13526 155.8
[M+K]+ 228.06460 146.0
[M+H-H2O]+ 172.09870 130.8
[M+HCOO]- 234.09964 161.4
[M+CH3COO]- 248.11529 152.6
[M+Na-2H]- 210.07611 146.2
[M]+ 189.10089 138.8
[M]- 189.10199 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.