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

73
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 122.8
[M+Na]+ 145.03723 133.4
[M-H]- 121.04073 126.4
[M+NH4]+ 140.08183 142.9
[M+K]+ 161.01117 132.3
[M+H-H2O]+ 105.04527 110.7
[M+HCOO]- 167.04621 144.8
[M+CH3COO]- 181.06186 184.1
[M+Na-2H]- 143.02268 129.4
[M]+ 122.04746 117.8
[M]- 122.04856 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