CID 558094

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

Structural Information

Molecular Formula
C3H6N4O
SMILES
C1=NN=NN1CCO
InChI
InChI=1S/C3H6N4O/c8-2-1-7-3-4-5-6-7/h3,8H,1-2H2
InChIKey
HROUXFIBPSXDJB-UHFFFAOYSA-N
Compound name
2-(tetrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

153
Patents

114.05416 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.061436 120.1
[M+Na]+ 137.043378 129.5
[M-H]- 113.046884 117.1
[M+NH4]+ 132.087983 138.3
[M+K]+ 153.017318 128.7
[M+H-H2O]+ 97.051420 112.0
[M+HCOO]- 159.052361 140.7
[M+CH3COO]- 173.068011 164.1
[M+Na-2H]- 135.028826 128.2
[M]+ 114.05361142 120.0
[M]- 114.05470858 120.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe