CID 8026

Ethyl nitrite

Structural Information

Molecular Formula
C2H5NO2
SMILES
CCON=O
InChI
InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3
InChIKey
QQZWEECEMNQSTG-UHFFFAOYSA-N
Compound name
ethyl nitrite
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

41
References

5584
Patents

75.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 76.039306 107.7
[M+Na]+ 98.021248 116.4
[M-H]- 74.024754 110.0
[M+NH4]+ 93.065853 132.4
[M+K]+ 113.99519 118.5
[M+H-H2O]+ 58.029290 103.3
[M+HCOO]- 120.03023 136.0
[M+CH3COO]- 134.04588 165.6
[M+Na-2H]- 96.006696 117.8
[M]+ 75.031481 110.8
[M]- 75.032579 110.8
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.