CID 13561170

2,5-bis(aminomethyl)furan

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1=C(OC(=C1)CN)CN
InChI
InChI=1S/C6H10N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,3-4,7-8H2
InChIKey
VKLGKDZCKSMSHG-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)furan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

809
Patents

126.079315 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.1
[M+Na]+ 149.06853 131.8
[M-H]- 125.07204 127.8
[M+NH4]+ 144.11314 145.8
[M+K]+ 165.04247 131.3
[M+H-H2O]+ 109.07658 118.5
[M+HCOO]- 171.07752 150.3
[M+CH3COO]- 185.09317 173.8
[M+Na-2H]- 147.05398 130.4
[M]+ 126.07877 122.4
[M]- 126.07986 122.4
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