CID 4131967

3-(2,3-dihydro-1-benzofuran-5-yl)aniline

Structural Information

Molecular Formula
C14H13NO
SMILES
C1COC2=C1C=C(C=C2)C3=CC(=CC=C3)N
InChI
InChI=1S/C14H13NO/c15-13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-5,8-9H,6-7,15H2
InChIKey
CYZANXWYHUKUKO-UHFFFAOYSA-N
Compound name
3-(2,3-dihydro-1-benzofuran-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

211.09972 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.106996 144.7
[M+Na]+ 234.088938 152.9
[M-H]- 210.092444 152.8
[M+NH4]+ 229.133543 164.5
[M+K]+ 250.062878 149.6
[M+H-H2O]+ 194.096980 138.2
[M+HCOO]- 256.097921 168.1
[M+CH3COO]- 270.113571 158.3
[M+Na-2H]- 232.074386 151.0
[M]+ 211.09917142 143.1
[M]- 211.10026858 143.1
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