CID 11018853

2-amino-4-methylfuran-3-carbonitrile

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC1=COC(=C1C#N)N
InChI
InChI=1S/C6H6N2O/c1-4-3-9-6(8)5(4)2-7/h3H,8H2,1H3
InChIKey
IPEZLDLJNUPTMI-UHFFFAOYSA-N
Compound name
2-amino-4-methylfuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

122.04801 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 122.6
[M+Na]+ 145.037228 134.0
[M-H]- 121.040734 126.6
[M+NH4]+ 140.081833 143.0
[M+K]+ 161.011168 133.0
[M+H-H2O]+ 105.045270 110.9
[M+HCOO]- 167.046211 144.6
[M+CH3COO]- 181.061861 185.1
[M+Na-2H]- 143.022676 128.6
[M]+ 122.04746142 118.0
[M]- 122.04855858 118.0
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