CID 25219478

2-ethyl-3-methyl-1-benzofuran-5-amine

Structural Information

Molecular Formula
C11H13NO
SMILES
CCC1=C(C2=C(O1)C=CC(=C2)N)C
InChI
InChI=1S/C11H13NO/c1-3-10-7(2)9-6-8(12)4-5-11(9)13-10/h4-6H,3,12H2,1-2H3
InChIKey
RJLMPRDYQYURGU-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 135.6
[M+Na]+ 198.08894 146.7
[M-H]- 174.09244 141.6
[M+NH4]+ 193.13354 157.9
[M+K]+ 214.06288 144.4
[M+H-H2O]+ 158.09698 130.6
[M+HCOO]- 220.09792 161.3
[M+CH3COO]- 234.11357 184.0
[M+Na-2H]- 196.07439 142.5
[M]+ 175.09917 138.8
[M]- 175.10027 138.8
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