CID 3841102

42933-43-7

Structural Information

Molecular Formula
C8H9NO
SMILES
C1COC2=C1C=C(C=C2)N
InChI
InChI=1S/C8H9NO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4,9H2
InChIKey
YJMADHMYUJFMQE-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

664
Patents

135.06842 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 123.8
[M+Na]+ 158.057638 132.2
[M-H]- 134.061144 128.8
[M+NH4]+ 153.102243 146.8
[M+K]+ 174.031578 131.1
[M+H-H2O]+ 118.065680 118.8
[M+HCOO]- 180.066621 147.7
[M+CH3COO]- 194.082271 138.6
[M+Na-2H]- 156.043086 131.9
[M]+ 135.06787142 122.2
[M]- 135.06896858 122.2
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