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 147.1
[M+Na]+ 242.10123 154.9
[M-H]- 218.10473 147.3
[M+NH4]+ 237.14583 160.6
[M+K]+ 258.07517 151.0
[M+H-H2O]+ 202.10927 137.0
[M+HCOO]- 264.11021 168.0
[M+CH3COO]- 278.12586 186.6
[M+Na-2H]- 240.08668 154.0
[M]+ 219.11146 146.8
[M]- 219.11256 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.