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]+ 155.092736 133.6
[M+Na]+ 177.074678 144.0
[M-H]- 153.078184 132.5
[M+NH4]+ 172.119283 151.5
[M+K]+ 193.048618 143.0
[M+H-H2O]+ 137.082720 126.0
[M+HCOO]- 199.083661 153.3
[M+CH3COO]- 213.099311 175.6
[M+Na-2H]- 175.060126 140.6
[M]+ 154.08491142 135.6
[M]- 154.08600858 135.6
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.