CID 285162

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

Structural Information

Molecular Formula
C3H6N4O
SMILES
C(CO)C1=NNN=N1
InChI
InChI=1S/C3H6N4O/c8-2-1-3-4-6-7-5-3/h8H,1-2H2,(H,4,5,6,7)
InChIKey
HVKDTPAQOXWHHG-UHFFFAOYSA-N
Compound name
2-(2H-tetrazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

114.05416 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.06144 121.0
[M+Na]+ 137.04338 130.1
[M-H]- 113.04688 116.7
[M+NH4]+ 132.08798 138.5
[M+K]+ 153.01732 128.3
[M+H-H2O]+ 97.051420 113.2
[M+HCOO]- 159.05236 140.1
[M+CH3COO]- 173.06801 161.5
[M+Na-2H]- 135.02883 128.6
[M]+ 114.05361 119.1
[M]- 114.05471 119.1
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