CID 9920370

4428-98-2

Structural Information

Molecular Formula
C4H6N2O
SMILES
CCOC=NC#N
InChI
InChI=1S/C4H6N2O/c1-2-7-4-6-3-5/h4H,2H2,1H3
InChIKey
MWIGGUZSIJZLJM-UHFFFAOYSA-N
Compound name
ethyl N-cyanomethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

98.04801 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.7
[M+Na]+ 121.03723 124.3
[M-H]- 97.040734 117.1
[M+NH4]+ 116.08183 136.2
[M+K]+ 137.01117 125.1
[M+H-H2O]+ 81.045270 103.4
[M+HCOO]- 143.04621 138.3
[M+CH3COO]- 157.06186 183.7
[M+Na-2H]- 119.02268 123.4
[M]+ 98.047461 111.9
[M]- 98.048559 111.9
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