CID 12445383

2,3-dimethyl-1-benzofuran-5-amine

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=C(OC2=C1C=C(C=C2)N)C
InChI
InChI=1S/C10H11NO/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5H,11H2,1-2H3
InChIKey
MPRDDRBNHBYQSK-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1-benzofuran-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

161.08406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 130.7
[M+Na]+ 184.07328 142.3
[M-H]- 160.07678 136.9
[M+NH4]+ 179.11788 153.6
[M+K]+ 200.04722 140.3
[M+H-H2O]+ 144.08132 125.9
[M+HCOO]- 206.08226 156.8
[M+CH3COO]- 220.09791 181.0
[M+Na-2H]- 182.05873 138.3
[M]+ 161.08351 133.6
[M]- 161.08461 133.6
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