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

9
Patents

170.08037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.087646 137.1
[M+Na]+ 193.069588 146.7
[M-H]- 169.073094 134.8
[M+NH4]+ 188.114193 153.4
[M+K]+ 209.043528 145.7
[M+H-H2O]+ 153.077630 129.8
[M+HCOO]- 215.078571 154.5
[M+CH3COO]- 229.094221 175.8
[M+Na-2H]- 191.055036 142.5
[M]+ 170.07982142 138.0
[M]- 170.08091858 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