CID 165941174

3-methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
CC1(COC2=CC=CC=C21)N
InChI
InChI=1S/C9H11NO/c1-9(10)6-11-8-5-3-2-4-7(8)9/h2-5H,6,10H2,1H3
InChIKey
XSNJLKYLXSRSPE-UHFFFAOYSA-N
Compound name
3-methyl-2H-1-benzofuran-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 128.3
[M+Na]+ 172.07328 137.4
[M-H]- 148.07678 133.6
[M+NH4]+ 167.11788 152.9
[M+K]+ 188.04722 136.1
[M+H-H2O]+ 132.08132 123.8
[M+HCOO]- 194.08226 151.9
[M+CH3COO]- 208.09791 143.2
[M+Na-2H]- 170.05873 137.0
[M]+ 149.08351 127.4
[M]- 149.08461 127.4
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

No patent data available for this compound.