CID 84021104

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

Structural Information

Molecular Formula
C4H6N4O3
SMILES
C1=NN(N=C1[N+](=O)[O-])CCO
InChI
InChI=1S/C4H6N4O3/c9-2-1-7-5-3-4(6-7)8(10)11/h3,9H,1-2H2
InChIKey
JFEONFYENHQOBL-UHFFFAOYSA-N
Compound name
2-(4-nitrotriazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.04399 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.051266 127.4
[M+Na]+ 181.033208 135.9
[M-H]- 157.036714 126.5
[M+NH4]+ 176.077813 144.6
[M+K]+ 197.007148 131.1
[M+H-H2O]+ 141.041250 124.6
[M+HCOO]- 203.042191 150.3
[M+CH3COO]- 217.057841 166.3
[M+Na-2H]- 179.018656 136.5
[M]+ 158.04344142 126.0
[M]- 158.04453858 126.0
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

No patent data available for this compound.