CID 11147750

2-methyl-2-(1h-1,2,3,4-tetrazol-5-yl)propanenitrile

Structural Information

Molecular Formula
C5H7N5
SMILES
CC(C)(C#N)C1=NNN=N1
InChI
InChI=1S/C5H7N5/c1-5(2,3-6)4-7-9-10-8-4/h1-2H3,(H,7,8,9,10)
InChIKey
BCHCDXUEXRWTKW-UHFFFAOYSA-N
Compound name
2-methyl-2-(2H-tetrazol-5-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.07014 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07742 127.1
[M+Na]+ 160.05936 136.5
[M-H]- 136.06286 123.3
[M+NH4]+ 155.10396 142.0
[M+K]+ 176.03330 135.4
[M+H-H2O]+ 120.06740 111.8
[M+HCOO]- 182.06834 141.5
[M+CH3COO]- 196.08399 183.0
[M+Na-2H]- 158.04481 134.0
[M]+ 137.06959 120.3
[M]- 137.07069 120.3
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.