CID 47002852

1235439-82-3

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C2=C(CO1)C=C(C=C2)CN
InChI
InChI=1S/C9H11NO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,4-6,10H2
InChIKey
VZWVGCODTFCCHX-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

149.08406 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.6
[M+Na]+ 172.07328 136.6
[M-H]- 148.07678 133.4
[M+NH4]+ 167.11788 151.0
[M+K]+ 188.04722 135.2
[M+H-H2O]+ 132.08132 123.4
[M+HCOO]- 194.08226 152.1
[M+CH3COO]- 208.09791 176.2
[M+Na-2H]- 170.05873 136.1
[M]+ 149.08351 127.3
[M]- 149.08461 127.3
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