CID 3438

Furfurylamine

Structural Information

Molecular Formula
C5H7NO
SMILES
C1=COC(=C1)CN
InChI
InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
InChIKey
DDRPCXLAQZKBJP-UHFFFAOYSA-N
Compound name
furan-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

42
References

10167
Patents

97.052765 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 115.8
[M+Na]+ 120.04198 126.8
[M+NH4]+ 115.08659 125.0
[M+K]+ 136.01592 123.4
[M-H]- 96.045489 119.2
[M+Na-2H]- 118.02743 122.0
[M]+ 97.052216 118.1
[M]- 97.053314 118.1
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