CID 11083882

5-(aminomethyl)furan-2-carbonitrile hydrochloride

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=C(OC(=C1)C#N)CN
InChI
InChI=1S/C6H6N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,3,7H2
InChIKey
AIBYYQLJOMFINU-UHFFFAOYSA-N
Compound name
5-(aminomethyl)furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 122.8
[M+Na]+ 145.037228 133.4
[M-H]- 121.040734 126.4
[M+NH4]+ 140.081833 142.9
[M+K]+ 161.011168 132.3
[M+H-H2O]+ 105.045270 110.7
[M+HCOO]- 167.046211 144.8
[M+CH3COO]- 181.061861 184.1
[M+Na-2H]- 143.022676 129.4
[M]+ 122.04746142 117.8
[M]- 122.04855858 117.8
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