CID 223442

6280-28-0

Structural Information

Molecular Formula
C4H8N4
SMILES
CC(C)C1=NNN=N1
InChI
InChI=1S/C4H8N4/c1-3(2)4-5-7-8-6-4/h3H,1-2H3,(H,5,6,7,8)
InChIKey
RFFXUEDBNNOGDO-UHFFFAOYSA-N
Compound name
5-propan-2-yl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2643
Patents

112.0749 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.082176 122.2
[M+Na]+ 135.064118 131.2
[M-H]- 111.067624 119.3
[M+NH4]+ 130.108723 140.6
[M+K]+ 151.038058 130.0
[M+H-H2O]+ 95.072160 114.3
[M+HCOO]- 157.073101 141.3
[M+CH3COO]- 171.088751 166.0
[M+Na-2H]- 133.049566 128.7
[M]+ 112.07435142 120.6
[M]- 112.07544858 120.6
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