CID 12252

2-nitroethanol

Structural Information

Molecular Formula
C2H5NO3
SMILES
C(CO)[N+](=O)[O-]
InChI
InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2
InChIKey
KIPMDPDAFINLIV-UHFFFAOYSA-N
Compound name
2-nitroethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

2837
Patents

91.02694 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.034216 111.9
[M+Na]+ 114.01616 122.9
[M+NH4]+ 109.06076 119.9
[M+K]+ 129.99010 121.2
[M-H]- 90.019664 112.1
[M+Na-2H]- 112.00161 115.9
[M]+ 91.026391 113.2
[M]- 91.027489 113.2
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