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]+ 204.087976 143.1
[M+Na]+ 226.069918 151.5
[M-H]- 202.073424 143.8
[M+NH4]+ 221.114523 157.2
[M+K]+ 242.043858 147.7
[M+H-H2O]+ 186.077960 133.5
[M+HCOO]- 248.078901 163.5
[M+CH3COO]- 262.094551 154.6
[M+Na-2H]- 224.055366 149.3
[M]+ 203.08015142 141.1
[M]- 203.08124858 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

literature stripe

Patent stripe

patents stripe