CID 3054058

N-(2-methylphenyl)-1h-tetrazole-5-acetamide

Structural Information

Molecular Formula
C10H11N5O
SMILES
CC1=CC=CC=C1N2C(=NN=N2)CC(=O)N
InChI
InChI=1S/C10H11N5O/c1-7-4-2-3-5-8(7)15-10(6-9(11)16)12-13-14-15/h2-5H,6H2,1H3,(H2,11,16)
InChIKey
KKWKSBUMTGMCHS-UHFFFAOYSA-N
Compound name
2-[1-(2-methylphenyl)tetrazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.103636 147.6
[M+Na]+ 240.085578 156.9
[M-H]- 216.089084 149.3
[M+NH4]+ 235.130183 161.9
[M+K]+ 256.059518 153.3
[M+H-H2O]+ 200.093620 137.9
[M+HCOO]- 262.094561 168.6
[M+CH3COO]- 276.110211 189.6
[M+Na-2H]- 238.071026 152.0
[M]+ 217.09581142 147.3
[M]- 217.09690858 147.3
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.