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

1170
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

literature stripe

Patent stripe

patents stripe