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

45
Patents

211.09972 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 144.7
[M+Na]+ 234.08894 152.9
[M-H]- 210.09244 152.8
[M+NH4]+ 229.13354 164.5
[M+K]+ 250.06288 149.6
[M+H-H2O]+ 194.09698 138.2
[M+HCOO]- 256.09792 168.1
[M+CH3COO]- 270.11357 158.3
[M+Na-2H]- 232.07439 151.0
[M]+ 211.09917 143.1
[M]- 211.10027 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