CID 3041345

N-phenyl-1h-tetrazole-5-ethanamine

Structural Information

Molecular Formula
C9H11N5
SMILES
C1=CC=C(C=C1)NCCC2=NNN=N2
InChI
InChI=1S/C9H11N5/c1-2-4-8(5-3-1)10-7-6-9-11-13-14-12-9/h1-5,10H,6-7H2,(H,11,12,13,14)
InChIKey
RCUUDHDCFPYQSW-UHFFFAOYSA-N
Compound name
N-[2-(2H-tetrazol-5-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 139.1
[M+Na]+ 212.090658 146.6
[M-H]- 188.094164 139.1
[M+NH4]+ 207.135263 153.6
[M+K]+ 228.064598 142.5
[M+H-H2O]+ 172.098700 129.1
[M+HCOO]- 234.099641 160.1
[M+CH3COO]- 248.115291 150.5
[M+Na-2H]- 210.076106 147.4
[M]+ 189.10089142 136.7
[M]- 189.10198858 136.7
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