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]+ 220.11929 148.0
[M+Na]+ 242.10123 159.8
[M+NH4]+ 237.14583 154.1
[M+K]+ 258.07517 156.0
[M-H]- 218.10473 149.0
[M+Na-2H]- 240.08668 155.4
[M]+ 219.11146 149.6
[M]- 219.11256 149.6
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.