CID 83672233

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

Structural Information

Molecular Formula
C6H10N4O
SMILES
CC(C)(C)N1N=C(N=N1)C=O
InChI
InChI=1S/C6H10N4O/c1-6(2,3)10-8-5(4-11)7-9-10/h4H,1-3H3
InChIKey
NRYLMRXRSFJEAN-UHFFFAOYSA-N
Compound name
2-tert-butyltetrazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 132.7
[M+Na]+ 177.07468 143.9
[M+NH4]+ 172.11928 138.6
[M+K]+ 193.04862 141.7
[M-H]- 153.07818 130.5
[M+Na-2H]- 175.06013 137.6
[M]+ 154.08491 133.4
[M]- 154.08601 133.4
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.