CID 4722620

112023-56-0

Structural Information

Molecular Formula
C8H11NO
SMILES
C=CCNCC1=CC=CO1
InChI
InChI=1S/C8H11NO/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6,9H,1,5,7H2
InChIKey
MTYBVTYEWJBZQI-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

137.08406 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.9
[M+Na]+ 160.07328 135.1
[M-H]- 136.07678 132.0
[M+NH4]+ 155.11788 149.8
[M+K]+ 176.04722 134.4
[M+H-H2O]+ 120.08132 122.4
[M+HCOO]- 182.08226 154.0
[M+CH3COO]- 196.09791 174.3
[M+Na-2H]- 158.05873 135.6
[M]+ 137.08351 128.7
[M]- 137.08461 128.7
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