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]+ 151.097826 130.5
[M+Na]+ 173.079768 141.0
[M-H]- 149.083274 126.9
[M+NH4]+ 168.124373 145.7
[M+K]+ 189.053708 139.3
[M+H-H2O]+ 133.087810 115.7
[M+HCOO]- 195.088751 143.5
[M+CH3COO]- 209.104401 184.6
[M+Na-2H]- 171.065216 135.6
[M]+ 150.09000142 125.4
[M]- 150.09109858 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.