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
4
Annotation Hits

42
References

11857
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 115.2
[M+Na]+ 120.04198 123.4
[M-H]- 96.045489 119.3
[M+NH4]+ 115.08659 138.5
[M+K]+ 136.01592 123.7
[M+H-H2O]+ 80.050025 110.2
[M+HCOO]- 142.05097 141.5
[M+CH3COO]- 156.06662 165.3
[M+Na-2H]- 118.02743 123.6
[M]+ 97.052216 114.6
[M]- 97.053314 114.6
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