CID 145875178

2026392-51-6

Structural Information

Molecular Formula
C7H10N4
SMILES
CC(C)(C)N1N=C(N=N1)C#C
InChI
InChI=1S/C7H10N4/c1-5-6-8-10-11(9-6)7(2,3)4/h1H,2-4H3
InChIKey
YRXPELGWPRNBCO-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-ethynyltetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 130.5
[M+Na]+ 173.07977 141.0
[M-H]- 149.08327 126.9
[M+NH4]+ 168.12437 145.7
[M+K]+ 189.05371 139.3
[M+H-H2O]+ 133.08781 115.7
[M+HCOO]- 195.08875 143.5
[M+CH3COO]- 209.10440 184.6
[M+Na-2H]- 171.06522 135.6
[M]+ 150.09000 125.4
[M]- 150.09110 125.4
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.