CID 84013756

2-tert-butyl-2h-1,2,3,4-tetrazole-5-carboxylic acid

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CC(C)(C)N1N=C(N=N1)C(=O)O
InChI
InChI=1S/C6H10N4O2/c1-6(2,3)10-8-4(5(11)12)7-9-10/h1-3H3,(H,11,12)
InChIKey
MKXPRLZWGWNEAZ-UHFFFAOYSA-N
Compound name
2-tert-butyltetrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.08037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 137.1
[M+Na]+ 193.06959 146.7
[M-H]- 169.07309 134.8
[M+NH4]+ 188.11419 153.4
[M+K]+ 209.04353 145.7
[M+H-H2O]+ 153.07763 129.8
[M+HCOO]- 215.07857 154.5
[M+CH3COO]- 229.09422 175.8
[M+Na-2H]- 191.05504 142.5
[M]+ 170.07982 138.0
[M]- 170.08092 138.0
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

patents stripe