CID 55291080

121212-25-7

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC(=C2C=COC2=C1)CN
InChI
InChI=1S/C9H9NO/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5H,6,10H2
InChIKey
YQVDPDBPSDVIJS-UHFFFAOYSA-N
Compound name
1-benzofuran-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

147.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 125.8
[M+Na]+ 170.05764 136.0
[M-H]- 146.06114 131.4
[M+NH4]+ 165.10224 148.7
[M+K]+ 186.03158 134.2
[M+H-H2O]+ 130.06568 120.7
[M+HCOO]- 192.06662 152.3
[M+CH3COO]- 206.08227 141.4
[M+Na-2H]- 168.04309 135.4
[M]+ 147.06787 127.6
[M]- 147.06897 127.6
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