CID 23512832

2137783-22-1

Structural Information

Molecular Formula
C9H11NO
SMILES
C1COC2=C1C=CC=C2CN
InChI
InChI=1S/C9H11NO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-3H,4-6,10H2
InChIKey
LNQLTDVDXCZARO-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-7-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

149.08406 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe