CID 23504847

165735-63-7

Structural Information

Molecular Formula
C9H9NO
SMILES
C1=CC=C2C(=C1)C(=CO2)CN
InChI
InChI=1S/C9H9NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2
InChIKey
YATHOKUVGYAFOO-UHFFFAOYSA-N
Compound name
1-benzofuran-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

147.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 125.8
[M+Na]+ 170.057638 136.0
[M-H]- 146.061144 131.4
[M+NH4]+ 165.102243 148.7
[M+K]+ 186.031578 134.2
[M+H-H2O]+ 130.065680 120.7
[M+HCOO]- 192.066621 152.3
[M+CH3COO]- 206.082271 141.4
[M+Na-2H]- 168.043086 135.4
[M]+ 147.06787142 127.6
[M]- 147.06896858 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

literature stripe

Patent stripe

patents stripe