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]+ 171.12404 140.2
[M+Na]+ 193.10598 149.5
[M-H]- 169.10948 137.6
[M+NH4]+ 188.15058 156.8
[M+K]+ 209.07992 147.9
[M+H-H2O]+ 153.11402 132.6
[M+HCOO]- 215.11496 157.9
[M+CH3COO]- 229.13061 176.8
[M+Na-2H]- 191.09143 146.1
[M]+ 170.11621 141.4
[M]- 170.11731 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.