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]+ 159.05127 127.3
[M+Na]+ 181.03321 138.3
[M+NH4]+ 176.07781 133.3
[M+K]+ 197.00715 139.1
[M-H]- 157.03671 126.7
[M+Na-2H]- 179.01866 131.6
[M]+ 158.04344 128.2
[M]- 158.04454 128.2
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.