CID 11724

Methyl nitrate

Structural Information

Molecular Formula
CH3NO3
SMILES
CO[N+](=O)[O-]
InChI
InChI=1S/CH3NO3/c1-5-2(3)4/h1H3
InChIKey
LRMHVVPPGGOAJQ-UHFFFAOYSA-N
Compound name
methyl nitrate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

41
References

22337
Patents

77.01129 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 78.018566 107.3
[M+Na]+ 100.00051 119.1
[M+NH4]+ 95.045113 115.7
[M+K]+ 115.97445 117.3
[M-H]- 76.004014 108.1
[M+Na-2H]- 97.985956 112.1
[M]+ 77.010741 108.9
[M]- 77.011839 108.9
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