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]+ 218.10364 147.6
[M+Na]+ 240.08558 156.9
[M-H]- 216.08908 149.3
[M+NH4]+ 235.13018 161.9
[M+K]+ 256.05952 153.3
[M+H-H2O]+ 200.09362 137.9
[M+HCOO]- 262.09456 168.6
[M+CH3COO]- 276.11021 189.6
[M+Na-2H]- 238.07103 152.0
[M]+ 217.09581 147.3
[M]- 217.09691 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.