CID 29905

Dtxsid10941975

Structural Information

Molecular Formula
C9H11NO
SMILES
C1C(OC2=CC=CC=C21)CN
InChI
InChI=1S/C9H11NO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-4,8H,5-6,10H2
InChIKey
ASPSZCAHOMXPBE-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

110
Patents

149.08406 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.6
[M+Na]+ 172.073278 136.6
[M-H]- 148.076784 133.4
[M+NH4]+ 167.117883 151.0
[M+K]+ 188.047218 135.2
[M+H-H2O]+ 132.081320 123.4
[M+HCOO]- 194.082261 152.1
[M+CH3COO]- 208.097911 176.2
[M+Na-2H]- 170.058726 136.1
[M]+ 149.08351142 127.3
[M]- 149.08460858 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

literature stripe

Patent stripe

patents stripe