CID 9898798

Methyl n-cyanomethanimidate

Structural Information

Molecular Formula
C3H4N2O
SMILES
COC=NC#N
InChI
InChI=1S/C3H4N2O/c1-6-3-5-2-4/h3H,1H3
InChIKey
ODSJRSDWANAFRF-UHFFFAOYSA-N
Compound name
methyl N-cyanomethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

84.032364 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.039640 110.7
[M+Na]+ 107.021582 120.6
[M-H]- 83.025088 113.2
[M+NH4]+ 102.066187 132.7
[M+K]+ 122.995522 121.7
[M+H-H2O]+ 67.029624 99.6
[M+HCOO]- 129.030565 134.6
[M+CH3COO]- 143.046215 181.0
[M+Na-2H]- 105.007030 119.9
[M]+ 84.03181542 107.6
[M]- 84.03291258 107.6
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