CID 421987

24026-94-6

Structural Information

Molecular Formula
C7H8N2O
SMILES
CNC(C#N)C1=CC=CO1
InChI
InChI=1S/C7H8N2O/c1-9-6(5-8)7-3-2-4-10-7/h2-4,6,9H,1H3
InChIKey
ARUNZPMWTFUJRU-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-2-(methylamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

136.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 128.4
[M+Na]+ 159.052878 137.6
[M-H]- 135.056384 132.0
[M+NH4]+ 154.097483 147.9
[M+K]+ 175.026818 136.8
[M+H-H2O]+ 119.060920 115.8
[M+HCOO]- 181.061861 149.7
[M+CH3COO]- 195.077511 187.2
[M+Na-2H]- 157.038326 134.8
[M]+ 136.06311142 123.7
[M]- 136.06420858 123.7
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

patents stripe