CID 3041346

N-(4-methoxyphenyl)-1h-tetrazole-5-ethanamine

Structural Information

Molecular Formula
C10H13N5O
SMILES
COC1=CC=C(C=C1)NCCC2=NNN=N2
InChI
InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)11-7-6-10-12-14-15-13-10/h2-5,11H,6-7H2,1H3,(H,12,13,14,15)
InChIKey
PSCUTOZLXMPVFS-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-(2H-tetrazol-5-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11201 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.119286 147.1
[M+Na]+ 242.101228 154.9
[M-H]- 218.104734 147.3
[M+NH4]+ 237.145833 160.6
[M+K]+ 258.075168 151.0
[M+H-H2O]+ 202.109270 137.0
[M+HCOO]- 264.110211 168.0
[M+CH3COO]- 278.125861 186.6
[M+Na-2H]- 240.086676 154.0
[M]+ 219.11146142 146.8
[M]- 219.11255858 146.8
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.