CID 4205685

Cyanomethyl formate

Structural Information

Molecular Formula
C3H3NO2
SMILES
C(C#N)OC=O
InChI
InChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2
InChIKey
ZFLAEHBSVFWEHW-UHFFFAOYSA-N
Compound name
cyanomethyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

335
Patents

85.01638 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.023656 113.7
[M+Na]+ 108.00560 124.3
[M+NH4]+ 103.05020 118.3
[M+K]+ 123.97954 116.4
[M-H]- 84.009104 106.1
[M+Na-2H]- 105.99105 116.2
[M]+ 85.015831 112.0
[M]- 85.016929 112.0
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