CID 11170975

5-tert-butyl-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C5H10N4
SMILES
CC(C)(C)C1=NNN=N1
InChI
InChI=1S/C5H10N4/c1-5(2,3)4-6-8-9-7-4/h1-3H3,(H,6,7,8,9)
InChIKey
ZEKBKTMMBLWNGK-UHFFFAOYSA-N
Compound name
5-tert-butyl-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1165
Patents

126.090546 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 128.3
[M+Na]+ 149.07976 137.5
[M-H]- 125.08327 125.5
[M+NH4]+ 144.12437 146.4
[M+K]+ 165.05370 136.1
[M+H-H2O]+ 109.08781 120.8
[M+HCOO]- 171.08875 146.4
[M+CH3COO]- 185.10440 167.7
[M+Na-2H]- 147.06521 135.9
[M]+ 126.09000 127.0
[M]- 126.09109 127.0
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.