CID 3055901

73096-37-4

Structural Information

Molecular Formula
C9H9N5O
SMILES
CC(=O)NC1=CC=CC(=C1)C2=NNN=N2
InChI
InChI=1S/C9H9N5O/c1-6(15)10-8-4-2-3-7(5-8)9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14)
InChIKey
NWLOCYNIBLCCCR-UHFFFAOYSA-N
Compound name
N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

203.0807 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 143.1
[M+Na]+ 226.06992 151.5
[M-H]- 202.07342 143.8
[M+NH4]+ 221.11452 157.2
[M+K]+ 242.04386 147.7
[M+H-H2O]+ 186.07796 133.5
[M+HCOO]- 248.07890 163.5
[M+CH3COO]- 262.09455 154.6
[M+Na-2H]- 224.05537 149.3
[M]+ 203.08015 141.1
[M]- 203.08125 141.1
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.