CID 122164226

2-(2-tert-butyl-2h-1,2,3,4-tetrazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H14N4O
SMILES
CC(C)(C)N1N=C(N=N1)CCO
InChI
InChI=1S/C7H14N4O/c1-7(2,3)11-9-6(4-5-12)8-10-11/h12H,4-5H2,1-3H3
InChIKey
GFGCZJUFPQUVRV-UHFFFAOYSA-N
Compound name
2-(2-tert-butyltetrazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.11676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.124036 140.2
[M+Na]+ 193.105978 149.5
[M-H]- 169.109484 137.6
[M+NH4]+ 188.150583 156.8
[M+K]+ 209.079918 147.9
[M+H-H2O]+ 153.114020 132.6
[M+HCOO]- 215.114961 157.9
[M+CH3COO]- 229.130611 176.8
[M+Na-2H]- 191.091426 146.1
[M]+ 170.11621142 141.4
[M]- 170.11730858 141.4
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.