CID 10261224

164075-30-3

Structural Information

Molecular Formula
C9H9NO
SMILES
CC1=COC2=C1C=CC=C2N
InChI
InChI=1S/C9H9NO/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5H,10H2,1H3
InChIKey
BHXIQTRDEFMSEL-UHFFFAOYSA-N
Compound name
3-methyl-1-benzofuran-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.06842 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 125.9
[M+Na]+ 170.05764 137.0
[M-H]- 146.06114 131.9
[M+NH4]+ 165.10224 149.1
[M+K]+ 186.03158 135.2
[M+H-H2O]+ 130.06568 121.1
[M+HCOO]- 192.06662 152.4
[M+CH3COO]- 206.08227 141.8
[M+Na-2H]- 168.04309 134.7
[M]+ 147.06787 128.0
[M]- 147.06897 128.0
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