CID 84051782

2137690-77-6

Structural Information

Molecular Formula
C10H12ClNO
SMILES
CC(C1=CC(=CC2=C1OCC2)Cl)N
InChI
InChI=1S/C10H12ClNO/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h4-6H,2-3,12H2,1H3
InChIKey
KSYXYUVBXXHRHM-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 142.6
[M+Na]+ 220.049968 151.5
[M-H]- 196.053474 147.4
[M+NH4]+ 215.094573 164.1
[M+K]+ 236.023908 148.3
[M+H-H2O]+ 180.058010 138.2
[M+HCOO]- 242.058951 160.0
[M+CH3COO]- 256.074601 185.1
[M+Na-2H]- 218.035416 146.9
[M]+ 197.06020142 143.4
[M]- 197.06129858 143.4
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.