CID 23504851

1955499-70-3

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C2=CC=CC=C2C(O1)CN
InChI
InChI=1S/C9H11NO/c10-5-9-8-4-2-1-3-7(8)6-11-9/h1-4,9H,5-6,10H2
InChIKey
VKMDWCKNUHAKHE-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-1-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

149.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.0
[M+Na]+ 172.07328 140.8
[M+NH4]+ 167.11788 138.9
[M+K]+ 188.04722 136.4
[M-H]- 148.07678 133.5
[M+Na-2H]- 170.05873 134.6
[M]+ 149.08351 131.9
[M]- 149.08461 131.9
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